Calorimetric determinations of the thermodynamics of transfer of nitromethane, nitroethane, 1-nitrobutane, 1-nitropentane, and 1-nitrohexane from n-octane to water at 25°C have been made. Transfer free energies calculated by four different models agree reasonably well with observations. Calculations indicate that the dipolar part of the transfer free energy depends only on the dipole moment and size of the-C-NO2 group and is independent of the length of the alkyl chain in nitroalkanes.
- aqueous solution
- free energy of transfer
- group contributions
- n-octane, nitromethane, nitroethane, 1-nitrobutane, 1-nitropentane, 1-nitrohexane
ASJC Scopus subject areas
- Molecular Biology
- Physical and Theoretical Chemistry