DIPPR Project 801 Details

A pre-competitive research consortium focused on developing, expanding and improving a database that meets industry needs for Accurate and Complete thermodynamic and physical property data for process engineering in a rapidly changing business and technical environment.

Uniquely, the DIPPR Methodology uses a systems approach in evaluating data from all available sources, up to and including published data within one year of each release of the database, to triangulate on the best values. The approach includes hundreds of applied constraints on property values stemming from inter-property relationships, expected trends of properties between related chemicals, and the impact of chemical similarities and differences. This, plus the expert review process DIPPR employs, makes the Project 801 Database the premier product in its field.

Project results are contained in two versions of the 801 Database (see Database Metadata and Properties Included)

801 Member Database

Fully evaluated data from DIPPR’s annual research efforts are made available to Members for no less than 5 years before Members can vote to release the data for inclusion in the licensed version. This Database is updated twice a year in May and October based on the fully evaluated research data generated and detailed project reports provided to Members.

801 Licensed Database

This version lags the Member version by at least 5 years and is available to non-Members under various licensing options. End-Users of this version include entities in different chemical fields, software vendors, insurance companies, academic institutions, EHS consultants, process safety experts, etc. This Database is updated annually in May.

Project Funding

DIPPR Members approve research funding on an annual basis and the allocated funds come in part from DIPPR Member dues as well as from the net income derived from sales of the 801 Licensed Database. The research support from the latter funding source is significant and provides members with a substantial dues benefit in addition to the consortium cost sharing.

801 Database Structure and Properties

Database Meta Data

• Chemical identification

• Molecular formula

• Molecular structure

• Simplified Molecular Input Line Entry System (SMILES) formula

• Chemical Abstracts name

• IUPAC compound name

• Synonyms and abbreviations for the chemical name

• CAS registry number

• Chemical identification number for file

• References to source data: "accepted" (A); accepted but "not used" (N) in regression, or not used or "rejected" (R); "unevaluated" (U).

• Source data values

• Recommended values for fixed-value properties

• Temperature-dependent correlation coefficients for temperature-dependent properties

• Data quality codes

• Hazard properties (as available and applicable)

• Flash point

• Flammability limits

• Autoignition temperature

• Notes and explanations

• Background information

• Date chemical was added to the file

• Date of most recent revision

Properties included in Database

NOTE: Unless otherwise noted, properties of liquids below the normal boiling point are at 1 atm, and those above the normal boiling point are at saturation conditions; solid and vapor properties are at 1 atm or low (unspecified) pressure. For fixed-value properties, quality codes, indicating source and accuracy, and references are included. For temperature-dependent properties, in addition to the quality codes and references, equation-fit statistics and the upper and lower temperature limits of applicability and values computed at these limits are included.

• Fixed-value properties:

• Molecular weight

• Critical temperature

• Critical pressure

• Critical volume

• Critical compressibility factor

• Melting point (at 1 atm)

• Triple point temperature

• Triple point pressure

• Normal boiling point

• Liquid molar volume at 25° C

• Enthalpy of formation of ideal gas at 25° C

• Gibbs energy of formation of ideal gas at 25° C & 1bar

• Absolute entropy of ideal gas at 25° C & 1 bar

• Enthalpy of formation in standard state at 25° C & 1 bar

• Gibbs energy of formation in standard state at 25° C & 1 bar

• Absolute entropy in standard state at 25° C & 1 bar

• Enthalpy of fusion at melting point

• Standard enthalpy of combustion at 25° C

• Acentric factor

• Radius of gyration

• Solubility parameter at 25° C

• Dipole moment

• van der Waals volume

• van der Waals area

• Refractive index

• Flash point

• Lower flammability limit/Temperature

• Upper flammability limit/Temperature

• Autoignition temperature

• Heat of sublimation

• Parachor

• Dilectric constant

• Correlation coefficients for temperature-dependent properties:

• Solid density (when appropriate)

• Liquid density

• Solid vapor pressure (when appropriate)

• Vapor pressure

• Enthalpy of vaporization (at saturation pressure)

• Solid heat capacity (when appropriate)

• Liquid heat capacity

• Ideal gas heat capacity

• Second virial coefficient

• Liquid viscosity

• Vapor viscosity