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

Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds

Lipkind, D.[Dmitry], Hanshaw, W.[William], Chickos, J. S.[James S.]
J. Chem. Eng. Data 2009, 54, 10, 2930-2943
ABSTRACT
The vaporization enthalpies and vapor pressures of the liqiud phase from T = 298.15 K to T = 500 K of a series of polyaromatic nitrogen heterocyles (PANH) have been derived using correlation gas chromatography. The vaporization enthalpies at T = 298.15 K measured in kilojoules per mole include: tri-n-butylamine (62.7 +- 1.3), 2-phenylpyridine (68.4 +- 1.9), 3-phenylpyridine (68.4 +- 1.6), quinazoline (58.9 +- 2.0), (-)-nicotine (63.9 +- 2.1), 4-phenylpyrimidine (68.8 +- 2.5), 2,2-dipyridine (67.0 +- 2.3), 2,4-dipyridine (70.9 +- 1.6), 4,4-dipyridine*1.7H2O (70.7 +- 2.4), 4,4-dipyridine (anhydrous, 71.1 +- 2.6), 1,7-phenanthroline (79.4 +- 4.7), 4,7-phenanthroline (80.8 +- 4.8), 2-benzylpyridine (69.8 +- 2.8), and 9-methylcarbazole (79.4 +- 3.2). Fusion enthalpies (kJ*mol-1, Tfus/K) are also reported for 2,4-bipyridine (17.4 +- 0.4, 332.8), 4,4-dipyridine (16.1 +- 1.0, 377.5), 4,4-dipyridine*1.7H2O (35.5 +- 0.5, 341.3), 4-phenylpyrimidine (18.8 +- 0.3, 334.1), 1,7-phenanthroline (18.2 +- 0.3, 350.3), and 4,7-phenanthroline (21.8 +- 0.5, 445.5). Vaporization enthalpy comparisons are made with available literature values by means of a thermochemical cycle; agreement is within the combined experimental uncertainties for all compounds except 4,4-dipyridine, for which evidence is provided that suggests that the current sublimation enthalpy value in the literature was measured on a hydrated form. Vapor pressures and normal boiling temperatures for the liquid phase are compared with available experimental literature values at elevated temperatures. Good agreement is found for most compounds.
Compounds
# Formula Name
1 C12H27N tributylamine
2 C11H9N 2-phenylpyridine
3 C11H9N 3-phenylpyridine
4 C8H6N2 1,3-benzodiazine
5 C10H14N2 (-)-3-(N-methylpyrrolidino)pyridine
6 C10H8N2 4-phenylpyrimidine
7 C10H8N2 .gamma.,.gamma.'-bipyridyl
8 C12H11N 2-benzylpyridine
9 C10H8N2 2,4'-bipyridine
10 C10H8N2 2,2'-bipyridine
11 C13H11N 9-methyl-9H-carbazole
12 C12H8N2 1,5-diazaphenanthrene
13 C12H8N2 4,7-phenanthroline
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 vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 2
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 3
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 4
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 5
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 8
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 9
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 9
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 9
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 10
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 10
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 11
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 11
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 12
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 12
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 12
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 12
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22
  • POMD
  • 13
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 13
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 13
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 13
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • correlation gas chromatography
  • 22