Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Hanshaw, W.[William], Nutt, M.[Marjorie], Chickos, J. S.[James S.]
J. Chem. Eng. Data 2008, 53, 8, 1903-1913
ABSTRACT
The vaporization enthalpies and liquid vapor pressures from T ) 298.15 K to T ) 510 K of a series of polyaromatic hydrocarbons have been measured by correlation-gas chromatography. The vaporization enthalpies measured in kJ * mol-1 include: biphenylene (66.4 ( 1.7), fluorene (72.4 ( 1.7), 1-methylfluorene (77.2 ( 3.6), 2-phenylindene (84.3 ( 0.7), 1-, 2-, 9-methylanthracene (87.0 ( 1.0, 84.5 ( 2.7, 88.1 ( 1.0, respectively), 1-methylphenanthrene (84.5 ( 1.4), 4H-cyclopenta(def)phenanthrene (83.4 ( 0.7), pyrene (92.4 ( 1.1), 9,10- dimethylanthracene (94.5 ( 0.2), 2-ethylanthracene (91.4 ( 1.1), 2,3-benzofluorene (97.5 ( 3.9), 1,2- benzanthracene (105.8 ( 1.9), 2,3-benzanthracene (106.2 ( 3.7), triphenylene (106.1 ( 3.9), p-terphenyl-d14 (99.5 ( 4.4), triphenylmethane (93.2 ( 2.2), benzo[a]pyrene (117.8 ( 1.0), benzo[e]pyrene (118.2 ( 0.3), benzo[k]fluoranthene (117.4 ( 1.1), 3,4-benzofluoranthene (116.8 ( 1.6), benzo[ghi]perylene (128.9 ( 1.5), and p-quaterphenyl (136.1 ( 1.6). Vaporization enthalpy comparisons are made with available literature values by means of a thermochemical cycle, and agreement is within the combined experimental uncertainties. Vapor pressures are compared with available experimental literature values at elevated temperatures. Good agreement is found for most compounds. Comparisons with subcooled vapor pressures at T ) 298.15 K obtained using other protocols are also made, and agreement generally is quite good.
Compounds
# Formula Name
1 C12H8 biphenylene
2 C13H12 diphenylmethane
3 C13H10 fluorene
4 C14H12 1-methyl-9H-fluorene
5 C15H10 benzo[def]fluorene
6 C15H12 2-phenyl-1H-indene
7 C15H12 1-methylanthracene
8 C15H12 2-methylanthracene
9 C15H12 9-methylanthracene
10 C15H12 1-methylphenanthrene
11 C16H10 pyrene
12 C16H14 9,10-dimethylanthracene
13 C16H14 2-ethylanthracene
14 C17H12 benzo[b]fluorene
15 C18H12 benz[a]anthracene
16 C18H12 2,3-benzanthracene
17 C18H12 triphenylene
18 C18D14 1,1':4',1''-terphenyl-d14
19 C19H16 triphenylmethane
20 C20H12 benzo[a]pyrene
21 C20H12 benzo[e]pyrene
22 C20H12 benzo[k]fluoranthene
23 C20H12 benz[e]acephenanthrylene
24 C22H12 benzo[ghi]perylene
25 C22H14 dibenz[a,c]anthracene
26 C22H14 dibenz[a,h]anthracene
27 C24H18 1,1':4',1'':4'',1'''-quaterphenyl
28 C24H18 1,3,5-triphenylbenzene
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 10
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 11
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 12
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 13
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 14
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 15
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 16
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 17
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 18
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 19
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 20
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 21
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 22
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 23
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation Gas Chromatography
  • 23
  • POMD
  • 24
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 25
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 26
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 27
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23
  • POMD
  • 28
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 23