Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic properties of S-(-)-nicotine

Emel'yanenko, Vladimir N., Turovtsev, Vladimir V., Fedina, Yulia A., Sikorski, Patryk
J. Chem. Thermodyn. 2018, 120, 97-103
ABSTRACT
In this work, a reliable and reciprocal set of thermodynamic properties of nicotine has been formed using the experimental and theoretical methods. The values of the enthalpies of combustion and formation of the substance in liquid state have been measured using combustion calorimetry. The temperature dependence of the vapor pressure of nicotine within the low temperature interval 289 373 K has been obtained via transpiration method along with calculation the value of enthalpy of vaporization. The analysis of the substance vapor pressure measurements available in the published sources has been performed, the set of nicotine vapor pressure values in the wide temperature interval has been formed. The enthalpy of formation in the gas state of the substance was determined using the experimental data. Quantum chemical calculation reaffirmed its reliability. The method of statistical thermodynamics has been used to calculate the values of thermodynamic functions of the compound in the ideal gas state within the interval 298.15 1500 K.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C10H14N2 (-)-3-(N-methylpyrrolidino)pyridine
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
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 23
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1