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

The Vaporization Enthalpies and Vapor Pressures of Some Primary Amines of Pharmaceutical Importance by Correlation Gas Chromatography

Gobble, C.[Chase], Rath, N.[Nigam], Chickos, J.[James]
J. Chem. Eng. Data 2013, 58, 9, 2600-2609
ABSTRACT
Vapor pressures, vaporization, and sublimation enthalpies of several pharmaceuticals have been evaluated by a combination of correlation chromatography experiments, differential calorimetry measurements with existing literature values. The compounds investigated and their properties include 1-adamantylamine [?crlHm(Tfus)/kJ*mol 1 = (7.3 +- 0.2); Tfus/K = (477.4 +- 0.9); ?lgHm(298.15 K)/kJ*mol 1 = (59.9 +- 2.5); ?crgHm(298.15 K)/kJ*mol 1 = (59.9 +- 3.5); p(l)/Pa = (21 +- 1); p(cr)/Pa = (11.5 +- 2.1)]; 1-adamantyl-ethanamine, [?lgHm(298.15 K)/kJ*mol 1 = (68.7 +- 3.7); p(l)/Pa = (3 +- 1)]; a,a-dimethylphenethylamine [?lgHm(298.15 K)/kJ*mol 1 = (60.2 +- 2.6); p(l)/Pa = (35 +- 4)]; trans 2-phenylcyclopropylamine [?lgHm(298.15 K)/kJ*mol 1 = (60.3 +- 2.1), p(l)/Pa = (28 +- 5)]; 1-dodecanamine [?crgHm(298.15 K)/kJ*mol 1 = (118.3 +- 1.8); p(cr)/Pa = 1.6 +- 0.1]; and 1-tetradecanamine [?crgHm(298.15 K)/kJ*mol 1 = (134.5 +- 2.1); p(cr)/Pa = 0.12 +- 0.04]. Vapor pressure equations also derived from vapor pressure retention time correlations as a function of temperature are reported for both standards and targets. The equations appear applicable from T/K = 298.15 to each compound s respective boiling temperature.
Compounds
# Formula Name
1 C10H15N 2-methyl-1-phenylpropan-2-amine
2 C10H17N tricyclo(3.3.1.1:3,7)decan-1-amine
3 C12H21N 1-(adamantan-1-yl)ethan-1-amine
4 C14H31N 1-tetradecanamine
5 C9H11N trans-2-phenylcyclopropylamine
6 C12H27N 1-dodecanamine
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Gas chromatography
  • 1
  • POMD
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Correlation gas chromatography
  • 1