Correlation of the chemical thermodynamic properties of alkane hydrocarbons. [C/sub 3/ through C/sub 10/; entropy, heat capacity, enthalpy of formation, and isomerization equilibria]

Journal Article · Mon Apr 15 04:00:00 EDT 1974 · J. Chem. Phys.; (United States)

OSTI ID:7336426

Scott, D W

An internally consistent correlation was made of the extant experimental data on the entropy, heat capacity, enthalpy of formation, and isomerization equilibria of alkane hydrocarbons. Of the data selected as reliable, all 41 values of entropy, 98 out of 100 values of heat capacity, 52 out of 54 values of enthalpy of formation, and all 15 values of enthalpy of isomerization from equilibrium data were fitted within the assigned experimental uncertainty. Working formulas, tables, and equations are given whereby thermodynamic properties for selected temperatures between 200 and 1500/sup 0/K can be calculated for any alkane hydrocarbon with a tractably small number of molecular conformations (say less than or equal to 3/sup 4/ = 81). Compounds with more conformations can be included by use of appropriate substitution methods. Values so obtained for the entropy, heat capacity, and enthalpy of formation at 298.15/sup 0/K are tabulated for all alkanes C/sub 3/ through C/sub 10/. Variance-covariance matrices from least squares adjustment of constants provide estimates of the reliability of calculated property values. Gaps are noted in the data base that should be filled to permit improved correlations in the future.

• OSTI ID: 7336426
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 60:8; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
023000 -- Petroleum-- Properties & Composition
090100* -- Hydrocarbon Fuels-- (-1989)
10 SYNTHETIC FUELS
ALKANES
BUTANE
CHEMICAL REACTIONS
DECANE
ENTHALPY
ENTROPY
FORMATION HEAT
HEPTANE
HEXANE
HYDROCARBONS
ISOMERIZATION
OCTANE
ORGANIC COMPOUNDS
PENTANE
PHYSICAL PROPERTIES
PROPANE
REACTION HEAT
SPECIFIC HEAT
THERMODYNAMIC PROPERTIES