Compound Information 

Name: 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Formula: C8H10N4O2
Molar Mass: 194.194
Additional Names: 1,3,7-trimethylxanthine
1,3,7-trimethyl-2,6-dioxopurine
caffeine
1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
Image of 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

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Property Availability 

For this compound, WTT contains critically evaluated recommendations for:
(Please note that if more than 50 points are used for regression, only the 50 most-constraining points are reported)

  • Triple point temperature
    • Triple point temperature (Crystal 2, Crystal 1, and Gas)
      6 experimental data points
    • Triple point temperature (Crystal 1, Liquid, and Gas)
      7 experimental data points
  • Normal boiling temperature (Liquid and Gas)
    • Critical temperature (Liquid and Gas)
      • Critical pressure (Liquid and Gas)
        • Boiling temperature (Liquid in equilibrium with Gas) as a function of Pressure
          Pressure from 3.02095 kPa to 735.905 kPa
          • Phase boundary pressure
            • Phase boundary pressure (Crystal 1 in equilibrium with Gas) as a function of Temperature
              Temperature from 413.5 K to 509.21 K
              15 experimental data points
            • Phase boundary pressure (Crystal 2 in equilibrium with Gas) as a function of Temperature
              Temperature from 315.24 K to 413.5 K
              50 experimental data points
            • Phase boundary pressure (Liquid in equilibrium with Gas) as a function of Temperature
              Temperature from 509.21 K to 743.15 K
              7 experimental data points
          • Enthalpy of phase transition
            • Enthalpy of phase transition (Crystal 2 to Crystal 1 in equilibrium with Gas)
              6 experimental data points
            • Enthalpy of phase transition (Crystal 1 to Liquid in equilibrium with Gas)
              7 experimental data points
          • Enthalpy of vaporization or sublimation (Crystal 1 to Gas) as a function of Temperature
            Temperature from 413.5 K to 509.21 K
            • Heat capacity at saturation pressure (Crystal 2 in equilibrium with Gas) as a function of Temperature
              Temperature from 80.826 K to 387.078 K
              50 experimental data points
              • Enthalpy of formation (Crystal)
                3 experimental data points

                About WTT 

                NIST/TRC Web Thermo Tables (WTT)
                NIST Standard Reference Subscription Database 3 - Professional Edition
                Version 2-2012-1-Pro

                This web application provides access to a collection of critically evaluated thermodynamic property data for pure compounds with a primary focus on organics. These data were generated through dynamic data analysis, as implemented in the NIST ThermoData Engine software package [1, 2, 3, 4, 5, 6]. Some critically evaluated data from the historical TRC Thermodynamic Tables archive [7, 8] are included, also. As of May 2012, the Professional Edition contains information on 28432 compounds and total of 531486 evaluated data points. The properties covered by both versions (32 total) are described in Properties and Implemented Models.

                Developed by Kenneth Kroenlein, Chris D. Muzny, Andrei F. Kazakov, Vladimir Diky, Robert D. Chirico, Joseph W. Magee, Ilmutdin Abdulagatov and Michael Frenkel.

                Thermodynamics Research Center (TRC)
                Thermophysical Properties Division
                National Institute of Standards and Technology
                Boulder CO 80305-3337

                Questions and comments should be addressed to Dr. Michael Frenkel .

                DISCLAIMER: The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high-quality copy of the database and to verify that the methods and data contained therein have been selected on the basis of sound scientific judgement. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the program and database.

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