Estimation of the heat capacities of organic liquids as a function of temperature using group additivity. II. Compounds of carbon, hydrogen, halogens, nitrogen, oxygen, and sulfur
- National Institute of Standards and Technology, Gaithersburg, MD (United States)
A second-order group additivity method has been developed for the estimation of the heat capacity of liquid organic compounds containing carbon, hydrogen, halogens, nitrogen, oxygen, and sulfur. The method permits the estimation of the heat capacity as a function of temperature in the range from the melting temperature to the normal boiling temperature. Group contributions and structural corrections have been made temperature dependent by the use of a polynomial expression. The adjustable parameters in the polynomials have been calculated using a weighted least squares minimization procedure. This work has drawn information for both the development and testing of the method from a large compilation of critically evaluated heat capacity data for over 1300 organic liquids. 32 refs.
- OSTI ID:
- 6145157
- Journal Information:
- Journal of Physical and Chemical Reference Data; (United States), Journal Name: Journal of Physical and Chemical Reference Data; (United States) Vol. 22:3; ISSN 0047-2689; ISSN JPCRBU
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360606* -- Other Materials-- Physical Properties-- (1992-)
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
BOILING POINTS
FLUIDS
LEAST SQUARE FIT
LIQUIDS
MAXIMUM-LIKELIHOOD FIT
MELTING POINTS
NUMERICAL SOLUTION
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHYSICAL PROPERTIES
SPECIFIC HEAT
TEMPERATURE DEPENDENCE
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE