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

Vapor Pressure and Enthalpy of Vaporization of Fentanyl

Gupta, P. K.[Pradeep K.], Ganesan, K.[Kumaran], Gutch, P. K.[Pranav K.], Manral, L.[Laxmi], Dubey, D. K.[Devendra K.]
J. Chem. Eng. Data 2008, 53, 3, 841-845
ABSTRACT
This paper describes the application of thermogravimetry including conventional thermobalance and standard sample holders for the estimation of vapor pressure and related thermodynamic properties of a potent narcotic analgesic, fentanyl (CAS No. 437-38-7). For this study, benzoic acid was used as a reference material to calibrate the thermogravimetric analysis (TGA) instrument and experimental conditions used. The relationship between the isothermal sublimation rates of benzoic acid determined at different temperatures and the corresponding literature vapor pressure values was established, and the correlation equation thus obtained was used for the estimation of vapor pressure of fentanyl. By adopting this procedure, the vapor pressure of fentanyl was estimated at different temperatures from T ) (423.15 to 493.15) K. Extrapolation of the measured data to T ) 298.15 K gave the vapor pressure of subcooled fentanyl and estimated it to be (4.6 ( 2.7) * 10-6 Pa. The corresponding solid phase vapor pressure of fentanyl was calculated to be (5.9 ( 4.7) * 10-7 Pa after taking the enthalpy of fusion into consideration. Related thermodynamic properties, viz., enthaply of vaporization and normal boiling points, were also estimated from the vapor pressure-temperature curve.
Compounds
# Formula Name
1 C22H28N2O fentanyl
2 C24H38O4 bis(2-ethylhexyl) 1,2-benzenedicarboxylate
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
  • thermogravimetric analysis- calculated from rates of vaporization correlated to benzoic acid
  • 8
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • RATEVAP:UFactor:2
  • 7