DIPPR® Project 911
Environmental, Safety, and Health Property Data and
Estimations

(revised June, 2004)

PUBLICATIONS

Chatkun Na Ayuttaya, P., T.N. Rogers, and M.E. Mullins, “Infinite Dilution Activity Coefficients and P-x Data for Aqueous and Nonaqueous Binary Systems Using an Isothermal Equilibrium Static-Cell”, Fluid Phase Equilibria, (2004, in press).

Chatkun Na Ayuttaya, P., T.N. Rogers, and M.E. Mullins, “Activity
Coefficients of the Constituents of Model Wastes of Organic Solvents and Salts. Part I: Measurement”, Fluid Phase Equilibria, (2004, in press).

Willman, T.J., T.N. Rogers, D.A. Zei, and A.K. Dewan, “ENVIRON: DIPPR
Project 911's Vision of Industry Standard Software for Physical Property Display and Selection”, Fluid Phase Equilibria, (2004, in press).

Chatkun Na Ayuttaya, P., T.N. Rogers, M.E. Mullins, and A.A. Kline,
“Henry’s Law Constants Derived from Equilibrium Static Cell Measurements for Dilute Organic-Water Mixtures,” Fluid Phase Equilibria, 185: 359-377(2001).

Kline, A.A., M.S. Heward, M.R. Trumbell, P.M. Wells, C.R. Whitten, T.N.
Rogers, D.A. Zei, and M.E. Mullins, “Quantitative Review and Delivery of Reliable Physical Property Data: Environ 2001 Software ‘Environmental, Safety and Health Property Data and Estimations for the 21st Century’,” Fluid Phase Equilibria, 185 (2001).

Metsa, J.C., T.N. Rogers, and M.E. Mullins, “Critical Review of Henry’s
Law Constants and their Application to Environmental Regulations”, Fluid Phase Equilibria, 185, (2001).

Miller D.C., T.N. Rogers, and B.A. Barna, “An Introduction to Process
Simulation for the Capstone Design Course”, Proceedings of the 2001 ASEE Annual Conference & Exposition (Session 1313), American Society for Engineering Education (ASEE), 2001.

Raymond, J.W., T.N. Rogers, D.R. Shonnard, and A.A. Kline, "A Review of
Structure-Based Biodegradation Estimation Methods," Journal of Hazardous Materials, B84: 189-215 (2001).

Yaws, C.L., T.N. Rogers, and J.D. Sameth, Chapters 41-45 (pp. 226-254),
Matheson Gas Data Book (Seventh Edition), Editor: C.L. Yaws, McGraw-Hill, ISBN 0-07-135854-4, 2001.

A.J. Pintar, “Estimation of Autoignition Temperature,” Proceedings of the Thirty-Third International Conference on Fire Safety, Columbus OH, July, 2001.

H. Chen, B.A. Barna, T.N. Rogers, D.R. Shonnard, “A Screening Methodology for Improved Solvent Selection Using Economic and Environmental Assessments,” Clean Products and Processes, June, 2001.

J.W. Raymond, T.N. Rogers, D.R. Shonnard, and A.A. Kline, “A Review of Structure-based Biodegradation Estimation Methods,” Journal of Hazardous Materials, B84, (2001) pp.189-215.

D.R. Shonnard, T.N. Rogers, B.A. Barna, D.A. Crowl, E.J. Oman, P.P. Radecki, J.A. Herlevich Jr., P.B. Parikh, “Integrated Assessment Methodologies and Software Tools for Process Design: Economic, Environmental, Safety, and Decision Analyses,” Department of Chemical Engineering and The Center for Clean Industrial and Treatment Technologies, Michigan Technological University, Houghton, MI, 2001.

J.R. Baker and J.R. Mihelcic, “Estimating Soil-Water Partition Coefficients (Koc) for Persistent Organic Pollutants: Limitations of Correlations with Kow,” Chemosphere, Vol. 41, (2000) pp. 813-817.

A.J. Pintar and T.M. Prezkop, “Estimation of Flashpoint Temperature,” Proceedings of the Thirty-First International Conference on Fire Safety, Columbus, OH, July, 2000.

P. Chatkun Na Ayuttaya, T.N. Rogers, M.E. Mullins, and A.A. Kline, “PVT Measurements of Dilute Organic-Water Mixtures,” Fourteenth Symposium on Thermophysical Properties, Session: Properties of Aqueous systems, Sponsored by NIST and ASME (Committee on Thermodynamic Properties, Heat Transfer Division), Boulder, CO, June 25-30, 2000, manuscript in preparation. (In press to Fluid Phase Equlibria).

J.C. Metsa, T.N. Rogers, and M.E.Mullins, “Critical Review of Henry’s Law Constants and their application to Environmental Regulations,” Fourteenth Symposium on Thermophysical Properties, Session: Properties of Environmental Applications, Sponsored by NIST and ASME (Committee on Thermophysical Properties, Heat Transfer Division), Boulder, CO, June 25-30, 2000, manuscript in preparation. (In press to Fluid Phase Equlibria).

A.A. Kline, C.R. Whitten, M.S. Heward, M.R. Trumbell, P.M. Wells, T.N. Rogers, D.A. Zei, and M.E. Mullins, “Quantitative Review and Delivery of Reliable Physical Property Data: Environ 2001® Software ‘Environmental, Safety and Health Property Data and Estimations for the 21st Century’,” Fourteenth Symposium on Thermophysical Properties, Session: Databases and Data Correlation, Sponsored by NIST and ASME (Committee on Thermophysical Properties, Heat Division), Boulder, CO, June, 2000, manuscript in preparation. (In press to Fluid Phase Equlibria).

A.J. Pintar, "Predicting Lower and Upper Flammability Limits," Proceedings of the Twenty- Eighth International Conference on Fire Safety, Columbus, OH, July, 1999.

J.C. Crittenden, S. Sanongraj, J.L. Bulloch, D.W. Hand, T.N. Rogers, T.F. Speth, and M. Ulmer, "Correlation of Aqueous Phase Adsorption Isotherms," Environmental Science & Technology, Vol. 33 (1999) pp. 2926-2933.

J.R. Baker, M.W. Milke, and J.R. Mihelcic, "Relationship between Chemical and Theoretical Oxygen Demand for Specific Classes of Organic Chemicals," Water Research, Vol. 33, No. 2, (1999) pp. 327-334.

J.W. Raymond and T.N. Rogers, "Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model to Automate Structure-Based Physical Property Estimation,"
Journal of Chemical Information and Computer Sciences, (Wendy A. Warr, Associate Editor), American Chemical Society, Vol. 39, No. 3, (1999) pp. 463-474.

M.E. Mullins, T.N. Rogers, and P.P. Radecki, "Engineering, Chemical Data Correlation," Kirk- Othmer Concise Encyclopedia of Chemical Technology, 4th Edition, (Mary Howe-Grant,
Editor), John Wiley & Sons, New York, (1999) pp. 737-743.

A.J. Pintar, "The Use of Estimation Techniques to Screen Fire and Explosion Data," Proceedings of the Twenty-Sixth International Conference on Fire Safety, Columbus, OH, October, 1998.

D.C. Luehrs, J.P. Hickey, K.A. Godbole, and T.N. Rogers, “Estimation of Octanol/Water
Partition Coefficients Using LSER Parameters," Advances in Environmental Research, Vol.2,
No. 2, (1998) pp. 181-185.

A.A. Kline, C.R. Szydlik, T.N. Rogers, and M.E. Mullins, " An Overview of Compiling,
Critically Evaluating, and Delivering Reliable Physical Property Data from AIChE/DIPPR® Projects 911 and 912," Fluid Phase Equilibria, Vol. 150-151, (1998) pp. 421-428.

M.E. Mullins, T.N. Rogers, and A.W. Loll, “Estimation of Henry's Constants for Aqueous Systems at Elevated Temperatures," Fluid Phase Equilibria, Vol. 150-151, (1998) pp. 245-253.

T.N. Rogers, A.A. Kline, and S.J. Unger, Standard Handbook of Hazardous Waste Treatment
and Disposal, Second Edition, (Harry M. Freeman, Editor), "Section 6.2: Distillation," McGraw- Hill Book Company, ISBN 0-07-022044-1, (1998) pp. 6.22-6.37.

D.C. Luehrs, T.N. Rogers, and K.A. Godbole, "Partition Coefficients of Organic Solutes
between Water and Activated Carbon," Encyclopedia of Environmental Analysis and Remediation, (Robert A. Meyers, Editor), John Wiley & Sons, ISBN 0-471-11708-0, (1998) pp. 3404-3415.

T.N. Rogers, M.D. Miller, A.A. Kline, M.E. Mullins, A.W. Loll, and D.M. Wieber,
“Development of a Physical Property Management System for Data Delivery to Scientists and Design Engineers," Proceedings of the Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

A.A. Kline, C.R. Szydlik, T.N. Rogers, and M.E. Mullins," An Overview of Compiling,
Critically Evaluating, and Delivering Reliable Physical Property Data from AIChE/DIPPR® Projects 911 and 912," Proceedings of the Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

M.E. Mullins, T.N. Rogers, and A.W. Loll, “Estimation of Henry's Constants for Aqueous Systems at Elevated Temperatures," Proceedings of the Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

J.R. Baker, J.R. Mihelcic, D.C. Luehrs, and J.P. Hickey, ”Evaluation of Estimation Methods for Organic Carbon Normalized Sorption Coefficients," Water Environment Research, Vol. 69,
No. 2, (March/April, 1997) pp. 136-145.

D.C. Luehrs, J.P. Hickey, P.E. Nilsen, K.A. Godbole, and T.N. Rogers, "Linear Solvation
Energy Relationship of the Limiting Partition Coefficient of Organic Solutes between Water and Activated Carbon," Environmental Science & Technology, Vol. 30, (1996) pp. 143.

D.R. Hokanson, T.N. Rogers, D.W. Hand, F. Gobin, M.D. Miner, J.C. Crittenden, and John E. Finn, "A Physical Property Resource Tool for Air and Water Treatment Unit Operations," AWWA Annual Conference, Anaheim, CA, June, 1995.

M.E. Mullins, T.N. Rogers, and P.P. Radecki, “Engineering, Chemical Data Correlation," Chapter in Kirk-Othmer Encyclopedia of Chemical Technology, 4th Edition, Vol. 9, McGraw- Hill Publishing Company, New York, (1994) pp. 463-522.

J.R. Baker and J.R. Mihelcic, “Development and Evaluation of Models for Predicting Soil/Water Partition Coefficients," in Proceedings of the Water Environment Federation 67th Annual
Conference and Exposition, Vol. 2, (1994) pp. 599-610.

COPYRIGHTED SOFTWARE

A.A. Kline, T.N. Rogers, M.E. Mullins, M.S. Heward, M.R. Trumbell, P.M. Wells, C.R. Whitten, D.A. Zei, E.M. Donnellon, A.K. Dewan, G.H. Thomson, and T.J. Willman,
Environ 2001® Environmental, Safety and Health Property Data and Estimations for the 21st Century, Version 1.0, Michigan Technological University (October 10, 2000).

WEBSITE

Project description, publication list, and other materials available online at http://www.chem.mtu.edu/chem_eng/DIPPR/

RESEARCH IN PREPARATION FOR PUBLICATION

M.E. Mullins, T.N. Rogers, and A.A. Kline, "Physical and Chemical Data," chapter in pending Chemical Engineering Handbook, (Lyle Albright, Editor), Marcel Dekker, Inc., October, 2000.

T.N. Rogers and others, "Predicting the Behavior of Henry's Law Constants as a Function of Temperature," to be submitted to Environmental Science and Technology, spring 2001.

T.N. Rogers, M.E. Mullins, M.D. Miller, and J.C. Crittenden, "An Improved UNIFAC Model for Predicting Thermodynamic Properties for Environmental Systems," to be submitted to Environmental Science and Technology, spring 2001.

INTERNAL PROJECT REPORTS BEING PREPARED FOR JOURNAL PUBLICATION

A.J. Pintar, J.S. Lukowski, B. Penke, T.M. Prezkop, and S.M. Surd, "The Use of Estimation Methods to Screen Fire and Explosion Data," Technical Support Document, DIPPR® Project
912, Michigan Technological University, Houghton, MI, (July, 1996).

A.J. Pintar, “Estimation of Autoignition Temperature," Technical Support Document, DIPPR® Project 912, Michigan Technological University, Houghton, MI (July, 1996).

A.J. Pintar, "Estimation of Lower Flammable Limit," Technical Support Document, DIPPR® Project 912, Michigan Technological University, Houghton, MI (June, 1996).

A.J. Pintar, “Estimation of Upper Flammable Limit," Technical Support Document, DIPPR® Project 912, Michigan Technological University, Houghton, MI (June, 1996).

A.J. Pintar and T.M. Prezkop, “Estimation of Flashpoint," Technical Support Document,
DIPPR® Project 912, Michigan Technological University, Houghton, MI (June, 1996).

PRESENTATIONS

Chatkun Na Ayuttaya, P., T.N. Rogers, and M.E. Mullins, “Infinite Dilution Activity Coefficients and P-x Data for Aqueous and Nonaqueous Binary Systems Using an Isothermal Equilibrium Static-Cell”, Fifteenth Symposium on Thermophysical Properties, (Session: Properties of Aqueous Systems), Organized by the National Institute of Standards and Technology (NIST) and the Committee on Thermophysical Properties, Heat Transfer Division, American Society of Mechanical Engineers (ASME), Boulder, CO, June 22-27, 2003.

Chatkun Na Ayuttaya, P., T.N. Rogers, and M.E. Mullins, “Activity Coefficients of the Constituents of Model Wastes of Organic Solvents and Salts. Part I: Measurement”, NIST Fifteenth Symposium on Thermophysical Properties, (Session: Properties for Environmental Applications), Boulder, CO, June 22-27, 2003.

Willman, T.J., T.N. Rogers, D.A. Zei, and A.K. Dewan, “ENVIRON: DIPPR
Project 911's Vision of Industry Standard Software for Physical Property Display and Selection”, NIST Fifteenth Symposium on Thermophysical Properties, (Session: Databases and Data Correlation), Boulder, CO, June 22-27, 2003.

Oonkhanond, B., T.N. Rogers, P. Chatkun Na Ayuttaya, J.C. Metsa, R. Song, and S. Snyder, “Chemical Substructure Searching to Automate EDC and PPCP Property Estimation by Functional Group Contributions”, 2002 Endocrine Disruptors & Water Industry Symposium, Cincinnati, OH, April 18-20, 2002.

Chatkun Na Ayuttaya, P., T.N. Rogers, B. Oonkhanond, C. Belwal, J.C.
Metsa, R. Song, and S. Snyder, “Structure–Based QSAR Models for the Fate and Transport Properties of EDCs and PhACs in Drinking Water”, 2002 AWWA Annual Conference and Exposition, New Orleans, LA, June 16-20, 2002.

A.J. Pintar, “Estimation of Autoignition Temperature,” Thirty-Third International Conference on Fire Safety, Columbus, OH, July 25, 2000.

A.J. Pintar and T.M. Prezkop, “Estimation of Flashpoint Temperature,” Thirty-First International Conference on Fire Safety, Columbus, OH, July, 2000.

A.A. Kline, T.N. Rogers, and M.E. Mullins, Software Demonstration, “Environ 2001® Software: Environmental, Safety and Health Property Data and Estimations for the 21st Century” Fourteenth Symposium on Thermophysical Properties, Boulder, CO, June, 2000.

A.A. Kline, C.R. Whitten, M.S. Heward, M.R. Trumbell, P.M. Wells, T.N. Rogers, D.A. Zei, and M.E. Mullins, “Quantitative Review and Delivery of Reliable Physical Property Data: Environ 2001® Software ‘Environmental, Safety and Health Property Data and Estimations for the 21st Century’,” Fourteenth Symposium on Thermophysical Properties, Boulder, CO, June, 2000.

P. Chatkun Na Ayuttaya, T.N. Rogers, M.E. Mullins, and A.A. Kline, “PVT Measurements of Dilute Organic-Water Mixtures,” Fourteenth Symposium on Thermophysical Properties, Boulder, CO, June, 2000.

J.C. Metsa, T.N. Rogers, and M.E. Mullins, “Critical Review of Henry’s Law Constants and their Application to Environmental Regulations,” Fourteenth Symposium on Thermophysical Properties, Boulder, CO, June, 2000.

P. Chatkun Na Ayuttaya, A. Provost, T.N. Rogers, and M.E. Mullins, "Thermodynamic Study of Dilute Organic-Water Mixtures: A Proposed Model of Henry's Law Constant at Elevated Temperatures," Design Institute for Physical Property Data (DIPPR®), American Institute of Chemical Engineers (AIChE), Fall Meeting, Dallas, TX, October 1999.

A.J. Pintar, "Predicting Lower and Upper Flammability Limits," Twenty- Eighth International Conference on Fire Safety, Columbus, OH, July, 1999.

A.J. Pintar, "The Use of Estimation Techniques to Screen Fire and Explosion Data," Twenty- Sixth International Conference on Fire Safety, Columbus, OH, July, 1998.

J.R. Baker, M.W. Milke, and J.R. Mihelcic, "Chemical Oxygen Demand of Organic Chemicals: Applicability of Analytical Method and Relationship to ThOD," European Conference on Environmental Properties, Croatia, May, 1998.

T.N. Rogers, M.D. Miller, A.A. Kline, M.E. Mullins, A.W. Loll, and D.M. Wieber, "Development of a Physical Property Management System for Data Delivery to Scientists and Design Engineers," Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

A.A. Kline, C.R. Szydlik, T.N. Rogers, and M.E. Mullins, " An Overview of Compiling, Critically Evaluating, and Delivering Reliable Physical Property Data from AIChE/DIPPR®
Projects 911 and 912," Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

M.E. Mullins and T.N. Rogers, “Estimation of Henry's Constants for Aqueous Systems at Elevated Temperatures," Thirteenth Symposium on Thermophysical Properties, Boulder, CO, June, 1997.

J.R. Mihelcic, “Evaluation of Estimation Methods for Organic Carbon Normalized Sorption Coefficients," University of Canterbury, Christchurch, New Zealand, April, 1997.

Invited Presentation: E.V. Lutz and J.R. Mihelcic, "Selection of Bioconcentration Estimation Methods for AIChE/DIPPR® Project 912: Environmental, Safety, and Health Data Estimation Project," Society of Environmental Toxicology and Chemistry (SETAC), National Conference, Washington, DC, November, 1996.

D.C. Luehrs and T.N. Rogers, “Correlation of the Limiting Partition Coefficient of Organic Solutes between Water and Activated Carbon with the Octanol/Water Partition Coefficient,"
Great Lakes Regional American Chemical Society Meeting, Normal, IL, May 20, 1996.

E.V. Lutz and J.R. Mihelcic, "Selection of Bioconcentration Estimation Methods for AIChE/DIPPR® Project 912: Environmental, Safety, and Health Data Estimation Project,"
Society of Environmental Toxicology and Chemistry (SETAC), Midwest Chapter, 4th Annual Meeting, Duluth, MN, April 4-5, 1996. Recipient of Best Student Platform Presentation
Award.

A.A. Kline, T.N. Rogers, A.J. Pintar, M.E. Mullins, T. Selover, and G. Thomson, "AIChE/DIPPR® Projects 911 and 912: Developing a New, Reliable Source of Environment, Safety, and Health Data," American Institute of Chemical Engineers Spring National Meeting, Session #106: Thermophysical Properties for Environmental Applications (Paper 106e), New Orleans, LA, February 25-29, 1996.

A.W. Loll, T.N. Rogers, and A.A. Kline, “Estimation of High Temperature VLE Physical Properties Using a Structure-Based Group Contribution Model," American Institute of Chemical Engineers Spring National Meeting, Session #103: Advances in Electrolyte and Aqueous Solution Thermodynamics (Paper 103e), New Orleans, LA, February 25-29, 1996.

M.D. Miller, T.N. Rogers, D.W. Hokanson, D.W. Hand, and A.A. Kline, "Development of a Physical Property Management System to Support Clean Process Designs," American Institute of Chemical Engineers Spring National Meeting, Session #106: Thermophysical Properties for Environmental Applications (Paper 106d), New Orleans, LA, February 25-29, 1996.

D.W. Hand, J. Yu, J.C. Crittenden, T.N. Rogers, and A.A. Kline, “Prediction of Liquid-Phase Adsorption Equilibrium from Thermodynamic Properties," American Institute of Chemical
Engineers Spring National Meeting, Session #106: Thermophysical Properties for Environmental Applications (Paper 106a), New Orleans, LA, February 25-29, 1996.

J.R. Baker and J.R. Mihelcic, "Development and Evaluation of Models for Predicting Soil/Water Partition Coefficients," presented at the Water Environment Federation 67th Annual Conference and Exposition, Chicago, IL, October 15-19, 1994.

T.M. Prezkop, "Critical Analysis of Clausius-Clapeyron Equation to Determine Flashpoint,"
1994 AIChE North Central Regional Student Conference, Ann Arbor, MI, March, 1994.

D.C. Luehrs, "Fractal Character of the Intrinsic Dimensionality of Intermolecular Interactions in the Liquid State," Midwest Regional American Chemical Society Meeting, Lawrence, KS, November 4, 1992.

SELECTED REPORTS

Rogers, T.N., A.S. Bhatia, and R. Chen, A Review of Quantitative
Structure-Property Methods (QSPRs) Applied to Endocrine-Disrupting
Chemicals in Drinking Water, Final Report to Louisville Water Company
(Louisville, KY) under American Water Works Association Research
Foundation (AWWA-RF) RFP#2758: Evaluation of Conventional and Advanced
Treatment Processes to Remove EDCs and PhACs, 11/20/2003.

A.A. Kline, D.A. Zei, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Mid-Year Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), June, 2000.

J.C. Metsa, M.E. Mullins, T.N. Rogers, E.J. Oman, and E.T. Kallio, Henry’s Law Constant Review, for Chemical Manufacturers Association (CMA), March, 2000.

A.A. Kline, D.A. Zei, M.E. Mullins, T.N. Rogers, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Year-End Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), December, 1999.

A.A. Kline, D.A. Zei, E.V. Lutz, J.R. Mihelcic, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Mid-Year Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), May, 1999.

A.A. Kline, D.A. Zei, E.V. Lutz, J.R. Mihelcic, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Year-End Progress Report for
AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), December, 1998.

A.A. Kline, D.A. Zei, E.V. Lutz, J.R. Mihelcic, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Mid-Year Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), May, 1998.

A.A. Kline, D.A. Zei, T.N. Rogers, A.J. Pintar, J.R. Mihelcic, E.V. Lutz, M.D. Miller, and M.E. Mullins, Environmental, Safety, and Health Data Estimation Manual, Year End Progress Report for AIChE/DIPPR® Project 912, (Design Institute for Physical PRoperty Data), December, 1997.

C.R. Szydlik, A.A. Kline, E.V. Lutz, J.R. Mihelcic, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Mid-Year Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), June, 1997.

A.A. Kline, T.N. Rogers, A.J. Pintar, J.R. Mihelcic, E.V. Lutz, M.D. Miller, and M.E. Mullins, Environmental, Safety, and Health Data Estimation Manual, Year End Progress Report for
AIChE/DIPPR® Project 912, (Design Institute for Physical PRoperty Data), December, 1996.

C.R. Szydlik, A.A. Kline, E.V. Lutz, J.R. Mihelcic, T.N. Rogers, M.E. Mullins, and D.C. Luehrs, Environmental, Safety, and Health Data Compilation, Year End Progress Report for AIChE/DIPPR® Project 911, (Design Institute for Physical PRoperty Data), December, 1996.

Other Year-End and Mid-Year Progress Reports for Projects 911 and 912 dating back to 1991.

THESES

Pariychat Chatkun Na Ayuttaya, “Evaluation of the Temperature and Pressure Dependence of Aqueous Henry’s Law Constants,” M.S. Thesis, Department of Chemical Engineering, Michigan Technological University, May, 2000.

J.W. Raymond, "Applying Chemical Information Theory and Substructure Searching to the Automation of Structure-Property Calculations," M.S. Thesis, Department of Chemical Engineering, Michigan Technological University, December, 1998.

E.M. Rupprecht, "Assessment of a Model which Estimates Chemical Degradability from Knowledge of Chemical Structure," M.S. Thesis, Department of Civil and Environmental Engineering, Michigan Technological University, November, 1998.

A.W. Loll, “Development of a Group Contribution Pure Component Vapor Pressure Model for Vapor-Liquid Equilibrium Property Predictions," M.S. Thesis, Department of Chemical Engineering, Michigan Technological University, September, 1997.

M.D. Miller, “Development of a Physical Property Management System to Support Clean Process Designs," M.S. Thesis, Department of Chemical Engineering, Michigan Technological University, January, 1997.

J.R. Baker, “Development of Estimation Techniques for Organic Carbon Normalized Soil/Water Partition Coefficients and Chemical Oxygen Demand," M.S. Thesis, Department of Civil and Environmental Engineering, Michigan Technological University, November, 1994.

DISSERTATION

T.N. Rogers, "Predicting Environmental Physical Properties from Chemical Structure Using a Modified UNIFAC Model," Doctoral Dissertation, Department of Chemical Engineering, Michigan Technological University, November, 1994.

DIPPR® Project 912 Technical Support Documents

Andrew A. Kline, Editor, excluding Fire and Explosion Physical Properties
James R. Mihelcic, and James R. Baker, Oxygen Demand Properties, Department of Civil and Environmental Engineering, Michigan Technological University, Houghton, MI (1994).

Ellen V. Lutz, Colleen L. Leppek, and Tracy M. Paquette, Estimation Methods for Bioconcentration Factors, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1996).

James R. Mihelcic, and James R. Baker, Estimation of Organic Carbon Normalized Soil Water Partition Coefficients, Department of Civil and Environmental Engineering, Michigan Technological University, Houghton, MI (1994).

Tracy M. Paquette, Brigita Penke, Andrew W. Loll, Erin D. Grassl, Steven J. Grucz, and Peter E. Nilsen, 1-Octanol/Water Partition Coefficient, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1997).

Andrew W. Loll, and Joseph P. Markey, Estimation Methods for Temperature Dependent Liquid Density, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1994).

Andrew W. Loll, Anne Marie Haight, and Jeffrey D. Miller, Estimation Methods for Solubility in Water, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

M. Katie Ellet, Kevin M. Jenkins, and Erin M. Donnellon, Melting Point Estimation Techniques, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

Paxton J. Hunt, Michelle L. Pavelski, and Erin M. Donnellon, Normal Boiling Point Estimation, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

Andrew W. Loll, and Jennifer L. Kamarainen, Estimation Methods for Temperature Dependent Vapor Pressure, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

Louis M. Kindt, Melissa F. Golembiewski, and Janelle J. Meyer, Diffusion Coefficients – a Quantitative Analysis of Water and Air as a Medium, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

Joanna G. Giovanoli, Tanya M. Prezkop, and Erin D. Grassl, Prediction Methods for Vapor and Liquid Viscosities, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1997).

Jennifer M. Lewis, Shane M. Surd, and Kevin M. Jenkins, Surface Tension, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1997).

Louis M. Kindt, Richard G. Jacobs, and Amanda L. Nierman, Vapor and Liquid Thermal Conductivity, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1996).

Anne Marie Haight, and Ryan R. Bosio, Standard Heat of Formation Estimation, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1996).

Anne Marie Haight, Ryan J. VanAuker, and Mark R. Fixler, Vapor and Liquid Heat Capacity Estimations as a Function of Temperature, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1997).

Brigita Penke, Kelly M. Stephens, and Brian W. Urban, Critical Temperature, Pressure, and Volume Estimation Techniques for Pure Organic Chemicals, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (2000).

M. Katie Ellet, and Damon L. Biehl, Estimating Enthalpy of Vaporization, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1997).

Andrew W. Loll, Jeffrey J. Schams, and Jeff Janes, Estimation Methods for Activity Coefficient of Chemical in Water, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1996).

Brigita Penke, Jeffrey J. Schams, and Jeff Janes, Henry’s Law Constant Estimation Models, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1995).

Ellen V. Lutz, Acute Aquatic Toxicity, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (1994).

Fire and Explosion Physical Properties

A.J. Pintar, J.S. Lukowski, B. Penke, T.M. Prezkop, and S.M. Surd, The Use of Estimation Methods to Screen Fire and Explosion Data, Department of Chemical Engineering, Michigan Technological University, Houghton, MI, (July, 1996).

A.J. Pintar, Estimation of Autoignition Temperature, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (July, 1996).

A.J. Pintar, Estimation of Lower Flammable Limit, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (June, 1996).

A.J. Pintar, Estimation of Upper Flammable Limit, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (June, 1996).

A.J. Pintar and T.M. Prezkop, Estimation of Flashpoint, Department of Chemical Engineering, Michigan Technological University, Houghton, MI (June, 1996).