A guide to thermochemical data Web sources and reference works in the Library's collections. Some thermochemical data may also be included in more general collections of data. Try Finding chemical data for further help on possible sources.
- Chemistry WebBook, National Institute of Standards and Technology.
- Includes thermochemical data for organic and small inorganic compounds.
- CKMech Reaction Data
- Thermochemical and chemical kinetic data for select molecular species including fluorocarbons, hydrocarbons and silicon compounds.
- JESS - Joint Expert Speciation System
- A tool for thermodynamic and kinetic modelling of
chemical speciation in complex aqueous environments. Access to a
database of equilibrium constants, enthalpies of reaction and other
- Thermodynamic data, Gas Research Institute, University of California, Berkeley
- Molar heat capacity, entropy and standard enthalpy of formation values from 200 to 3000K for a selection of organic and inorganic compounds.
CODATA Key Values For Thermodynamics
- Thermodynamic properties (standard enthalpy of formation and entropy at 298.15 K) of key chemical substances.
- CCCBDB: Computational Chemistry Comparison and Benchmark Database, NIST
- Experimental and computational thermochemical data for gas-phase atoms and molecules
- ATHAS (Advanced Thermal Analysis System) Database
- Thermal properties of macromolecules and related substances.
- The following list other web and print sources:
- Web sites in inorganic chemical thermodynamics,
Facility for the Analysis of Chemical Thermodynamics - lists thermochemical databases, software, publications and reports for pure substances and non-ideal solutions of gases, alloys, ceramics, salts, mattes, slags, minerals, aqueous, etc.
Thermodynamic Data and Property Calculation Sites on the Web - a large collection of links.
Thermodex: An Index of Selected Thermodynamic Data Handbooks, University of Texas Library - indexes printed handbooks of thermodynamic and thermophysical data for organic and inorganic compounds. Not all the indexed handbooks are held in the University of Adelaide Library.
- NIST-JANAF thermochemical tables. Malcolm W. Chase, Jr. 4th ed. American Chemical Society ; American Institute of Physics for the National Institute of Standards and Technology, 1998.
- Journal of physical and chemical reference data. Monograph 9.
Reference collection 530.805 J86a.2 9
A critically evaluated data set containingrecommended temperature dependent values for chemical thermodynamic properties of inorganic and C1 and C2 organic substances. Includes heat capacity, entropy, Gibbs energy function, enthalpy, enthalpy of formation, Gibbs energy of formation, logarithm of equilibrium constant of formation. Has a chemical name and formula index.
- The NBS tables of chemical thermodynamic properties: selected values for inorganic and C1 and C2 organic substances in SI units. D. D. Wagman. American Chemical Society and the American Institute of Physics for the National Bureau of Standards, 1982.
- Journal of physical and chemical reference data. Vol 11, supplement 2.
Reference collection 530.805 J86a 11.2
and as NBS technical note, 270 - Main collection 606 U58n 270.
Contains critically evaluated thermochemical property data for over 8,000 inorganic and small organic molecules in gaseous, liquid, crystalline states for solutions in water and for mixed aqueous and organic solutions. Properties include heat capacity, entropy, enthalpy, enthalpy of formation, Gibbs free energy of formation at 298.15K and 0.1 Mpa
- Thermochemical data of pure substances. I. Barin. 3rd ed. VCH, 1995.
- Reference collection 660.29 B253t
A comprehensive collection of thermodynamic properties of 2400 pure substances as a function of temperature at 100 degree intervals. Data include: heat capacity, entropy, enthalpy, Gibbs energy of formation, log of equilibrium constant of formation. Includes mainly inorganic compounds plus a selection of common hydrocarbons, carbohydrates and chlorinated hydrocarbons. Some data are derived from critically evaluated sources. Substances are arranged by formula.
- Thermochemical data and structures of organic compounds. J.B. Pedley. Thermodynamics Research Center, Texas A&M University. 1994.
- Reference collection 547.139 T411t
Critically evaluated enthalpies of formation of 3000 organic compounds.
- Handbook of bond dissociation energies in organic compounds. Yu-Ran Luo. CRC Press, 2002.
- Reference collection 547.1224 L964h
Experimental bond dissociation energies for 2400 organic compounds.
- Thermodynamics of organic compounds in the gas state. M. Frenkel. Thermodynamics Research Center, Texas A&M University, 1994. 2 vols.
- Reference collection 547.1369 F879t
A major set of data on heat capacity, entropy, enthalpy, Gibbs free energy, enthalpy of formation, Gibbs free energy of formation. Covers elements, inorganic compounds and organic compounds. Has formula, name and CAS registry number indexes.
- Heat capacities and entropies of organic compounds in the condensed phase. E.S. Domalski. 1984.
- Journal of physical and chemical reference data. Vol 13 supplement 1.
Reference collection 530.805 J86a 13.1
Contains critically evaluated heat capacities and entropies for 1400 organic compounds in the liquid and solid phases; and some enthalpy and entropy of phase transition (fusion, vaporization). Covers the literature from 1925-1982.
- Heat capacity of liquids: critical review and recommended values. M. Zabransky. Main work and Supplement 1.
- For main work:
- Journal of physical and chemical reference data. Monograph 6, 1996. Reference collection 530.805 J86a.2 6
For Supplement 1:
- Journal of physical and chemical reference data. 30(5), 1199-1689, 2001. Reference collection 530.805 J86
Contains recommended data on heat capacities for more than 1600 substances (elements, 103 inorganic compounds, the rest organic compounds) with melting points below 573 K. Has a formula and name index.
- Thermodynamic properties of organic compounds and their mixtures. 1995-. Ed. K.N. Marsh.
- In Landolt Bornstein: Numerical data and functional relationships in science and technology, new series, group IV volume 8
Reference collection 541.9 L25Z 4.8
A compilation of critically evaluated thermodynamic data on solid-solid and solid-liquid phase transiitons for organic compounds. The series of volumes covers:
A. Enthalpies of fusion and transition of organic compounds and their mixtures
B. Densities of aliphatic hydrocarbons: alkanes
C. Densities of aliphatic hydrocarbons: alkenes, alkadienes, alkynes, and miscellaneous compounds
Include name index and CAS registry number index.
- Chemical properties handbook : physical, thermodynamic,
environmental, transport, safety, and health related properties for
organic and inorganic chemicals. Carl L. Yaws. McGraw-Hill,
- Reference collection 540.212 Y35c
Contains critical properties, heat capacity, enthalpy of vaporization, enthalpy of fusion, vapor pressure, density of liquid, surface tension, refractive index, dipole moment, radius of gyration, entropy, enthalpy of formation, gibbs energy of formation, solubility, Henry's law constant, adsorption on activated carbon, soil sorption coefficient, viscosity, thermal conductivity, flash point, exposure limits, coefficient of thermal expansion.
- Thermodynamic and physical property data: comprehensive thermodynamic and physical property data for hydrocarbons and organic chemicals. C L. Yaws. Gulf Pub. Co., c1992.
- Reference collection 547.136 Y35t
Contains properties for 700 hydrocarbons and organic compounds of oxygen, nitrogen,halogen and sulfur. Properties include critical properties and acentric factor, heat capacity of gas and liquid, enthalpy of vaporization, vapor pressure, density of liquid, surface tension, enthalpy of formation and gibbs free energy of formation of gas, solubility in water, Henry's law constant in water.
- Physical properties: a guide to the physical, thermodynamic and transport property data of industrially important chemical compounds. C.L. Yaws. McGraw-Hill, 1977.
- Reference collection 541.3 Y35p
Physical and thermodynamic properties represented in graphs for common inorganic and organic compounds. Commonly includes boiling point, melting point, molecular weight, critical constants, vapor pressure, heat of vaporization, heat capacity, density, surface tension, viscosity, thermal conductivity, heat of formation, free energy of formation.
- Physical and thermodynamic properties of aliphatic alcohols. R.C. Wilhoit. American Chemical Society, c1973.
- Journal of physical and chemical reference data. Vol 2 supplement 1.
Reference collection 530.805 J86a 2.1
Critically evaluated data to 1968 on thermodynamic and some physical properties of 722 monohydroxy aliphatic alcohols in the C1 to C50 range.. Includes refractive index, density, melting point, boiling point, vapour pressure, critical properties, phase transitions, heat capacity, entropy, enthalpy of phase transition, enthalpy of formation, Gibbs energy of formation.
- U.S. Bureau of Mines. Bulletin.
- Main collection 622.06 U58
Thermodynamic properties of elements and oxides. L.B. Pankratz. Bulletin 672, 1982.
Thermodynamic properties of halides. L.B. Pankratz. Bulletin 674, 1984.
Thermodynamic data for mineral technology. L.B. Pankratz. Bulletin 677, 1984. [Covers antimonides, arsenides, borides, halides, carbides, carbonates, hydrides, nitrides, oxides, phosphides, selenides, silicates, silicides, sulfates, sulfides, tellurides].
Thermodynamic properties of sulfides. L.B. Pankratz. Bulletin 689, 1987.
These compilations contain critically evaluated data for heat capacity, entropy, high temperature relative enthalpy, enthalpy of formation, Gibbs energy of formation, Gibbs energy function, log of the equilibrium constant for elements and inorganic compounds indicated.
- Thermochemistry of the chemical substances. F.R. Bichowsky. Reinhold, 1936.
- Main collection 541.36 B58
A dated collection of best values for enthalpy of formation of inorganic compounds and organic compounds containing 2 or fewer carbons.
- Gas-phase ion and neutral thermochemistry. S.G. Lias. 1988.
- Journal of physical and chemical reference data. Vol 17, supplement 1.
Reference collection 530.805 J86a 17.1
Contains critically evaluated data on heats of formation of organic and inorganic positive and negative ions in the gas phase as well as ionization energy, proton affinity, electron affinity, acidity. Also includes the thermochemistry of related neutral species. Covers the literature to 1986. The separate positive and negative ion tables are arranged alphabetically by molecular formula.
- Energetics of gaseous ions. H.M. Rosenstock. 1977.
- Journal of physical and chemical reference data. Supplement vol 6 no 1.
Reference collection 530.805 J86a 6 supp 1
Contains critically evaluated data on ionization potential, appearance potential, electron affinity, enthalpy of formation for gaseous inorganic and organic positive and negative ions. Covers the literature to 1971 for positive ions and 1973 for negative ions.
- Ion energetics measurements. Part 1. 1971-1973. H.M. Rosenstock. National Bureau of Standards, 1980.
- National standards reference data series, NSRDS-NBS 66, Part 1.
Main collection 606 U58na 66
Covers gaseous inorganic and organic gaseous positive ions in the literature for 1971-73.
- Ionization potential and appearance potential measurements, 1971-1981. R.D. Levin. National Bureau of Standards, 1982.
- National standards reference data series, NSRDS-NBS 71.
Main collection 606 U58na 71
Contains inorganic and organic positive ion ionization potential and appearance potential measurements in the refereed literature from 1971-1981.
- Selected values of physical and thermodynamic properties of hydrocarbons and related compounds. F. Rossini. Carnegie Press, 1953.
- Main Collection 547 A51
Contains data for hydrocarbons and non-hydrocarbons (sulfur, oxygen, nitrogen, halogen organic compounds) of importance to the petroleum industry. Includes boiling point, melting point, refractive index, density, viscosity, critical constants, surface tension, enthalpy, entropy, heat capacity.
- Abridged thermodynamic and thermochemical tables. F.D. Hamblin. Pergamon Press, 1971.
- Reference collection 536.7 H199
A brief selection of thermodynamic properties, particularly of water, steam, gaseous hydrocarbons, inorganic gases.
- Handbook of thermodynamic tables and charts. Raznejevic, K. McGraw-Hill, 1976.
- Main collection 536.7 R279t.E
Includes specific heat, thermal conductivity, density, viscosity, heat capacity, enthalpy, entropy.
- Thermodynamic functions of gases. F. Din. 3 vols.
- Main Collection 661 D583
Contains thermodynamic data (density, boiling point, critical constants, specific heat, entropy, enthalpy) at a range of temperatures and pressures for ammonia, carbon dioxide, carbon monoxide, air, acetylene, ethylene, propane, argon, ethane, methane, nitrogen.