Thermochemistry of nitrophenols. V. Enthalpies of formation of 2,4- and 2,6-dinitrophenols
β Scribed by Arthur Finch; Ann E. Smith
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 183 KB
- Volume
- 69
- Category
- Article
- ISSN
- 0040-6031
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π SIMILAR VOLUMES
The standard ( pΒ°= 0.1 MPa) molar enthalpy of formation for liquid 2,4,6-trimethylpyridine was derived from the standard molar enthalpy of combustion, measured by static bomb combustion calorimetry in oxygen, at the temperature T = 298.15 K: DfH Β°m = -(31.0 2 2.3) kJβ’mol -1 .
The enthalpies of formation for singlet benzynes were examined at the CASPT2 (second order perturbation theory, based on a complete active space SCF reference function) level of theory. The study employed isodesmic reactions in order to minimize the influence of systematic errors of the method. The