2-butanethiol: chemical thermodynamic properties between 0 and 1000/sup 0/K. Rotational conformations
The chemical thermodynamic properties of 2-butanethiol in the ideal gaseous state (0 to 1000/sup 0/K) were calculated by use of calorimetric, spectroscopic and molecular structure information. The thermodynamic and spectroscopic results show that 2-butanethiol exists as a mixture of molecules in three distinct rotational conformations--two with about equal energies and a third with about 1.0 kcal. mole/sup -1/ higher energy. Experimental studies provided the following information: values of heat capacity for the solid (12/sup 0/K to the triple point), the liquid (triple point to 307/sup 0/K) and the vapor (346 to 453/sup 0/K); the triple point temperature; the heat of fusion; thermodynamic functions for the solid and liquid (0 to 310/sup 0/K); heat of vaporization (318 to 358/sup 0/K); parameters of the equation of state; vapor pressure (38 to 121/sup 0/); and standard heat of formation at 298.16/sup 0/K.
- Research Organization:
- Bureau of Mines, Bartlesville, OK
- OSTI ID:
- 7219952
- Journal Information:
- J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 80:18; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
CALORIMETRY
ENTHALPY
FLUIDS
FORMATION HEAT
FUSION HEAT
GASES
HIGH TEMPERATURE
LIQUIDS
LOW TEMPERATURE
MEDIUM TEMPERATURE
ORGANIC COMPOUNDS
ORGANIC SULFUR COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
SOLIDS
SPECIFIC HEAT
STEREOCHEMISTRY
THERMODYNAMIC PROPERTIES
THIOLS
TRANSITION HEAT
ULTRALOW TEMPERATURE
VAPOR PRESSURE
VAPORIZATION HEAT
VERY LOW TEMPERATURE