Fluorobenzene: thermodynamic properties in the solid, liquid, and vapor states. A revised vibrational assignment

Journal Article · Thu Nov 08 04:00:00 EST 1956 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja01602a001· OSTI ID:7305390

Scott, D W; McCullough, J P; Good, W D; Messerly, J F; Pennington, R E; Kincheloe, T C; Hossenlopp, I A; Douslin, D R; Waddington, G

Studies of fluorobenzene by low temperature calorimetry, comparative ebulliometry, flow calorimetry and combustion calorimetry led to values of the standard entropy, heat capacity and heat of formation of the vapor. A revised vibrational assignment, consistent with the calorimetric values of vapor heat capacity, was made and used with other molecular structure data to compute values of thermodynamic functions at selected temperatures between 0 and 1500/sup 0/K. Values of the heat, free energy and logarithm of the equilibrium constant of formation were computed for the same selected temperatures. The experimental studies provided the following information. Values of the heat capacity for the solid (14 to 225/sup 0/K), the liquid (C/sub satd/ = 39.496 - 0.13777 T + 5.7113 x 10/sup -4/ T/sup 2/ - 5.3644 x 10/sup -7/ T/sup 2/ cal.deg./sup -1/mole/sup -1/ (230 to 350/sup 0/K)) and the vapor (C/sup 0//sub p/ = -6.581 + 0.11589 T - 6.122 x 10/sup -5/ T/sup 2/ cal.deg/sup -1/mole/sup -1/ (343 to 500/sup 0/K)); the heat of fusion (2702.0 cal.mole/sup -1/) at the triple point (230.94 +- 0.04/sup 0/K); the entropy of the liquid at 298.16/sup 0/K (S/sub satd/ = 49.22 cal.deg./sup -1/mole/sup -1/); the heat of vaporization (..delta..Hv = 10689 - 3.850 T - 1.448 x 10/sup -2/ T/sup 2/ cal.mole/sup -1/ (318 to 382/sup 0/K)); the second virial coefficient in the equation of state, PV = RT(1 + B/V), (B = 212 - 158.6 exp (750/T) cc.mole/sup -1/ (318 to 500/sup 0/K)); the vapor pressure (log/sub 10/p(mm) = 6.95208 - 1248.033/(t + 221.827), (39 to 120/sup 0/)); and the standard heat of formation of liquid fluorobenzene at 298.16/sup 0/K (-34.7/sub 5/ kcal.mole/sup -1/).

• Research Organization: Bureau of Mines, Bartlesville, OK
• OSTI ID: 7305390
• Journal Information: J. Am. Chem. Soc.; (United States), Journal Name: J. Am. Chem. Soc.; (United States) Vol. 78:21; ISSN JACSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
AROMATICS
CALORIMETRY
ENTHALPY
ENTROPY
FLUIDS
FLUORINATED AROMATIC HYDROCARBONS
FORMATION HEAT
FUSION HEAT
GASES
HALOGENATED AROMATIC HYDROCARBONS
HIGH TEMPERATURE
LIQUIDS
LOW TEMPERATURE
MEDIUM TEMPERATURE
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
SOLIDS
SPECIFIC HEAT
THERMODYNAMIC PROPERTIES
TRANSITION HEAT
ULTRALOW TEMPERATURE
VAPOR PRESSURE
VAPORIZATION HEAT
VAPORS
VERY HIGH TEMPERATURE
VERY LOW TEMPERATURE