An Empirical Correlation and Method of Calculation of Barriers Hindering Internal Rotation
- 1 August 1944
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 12 (8) , 336-344
- https://doi.org/10.1063/1.1723952
Abstract
The barriers hindering internal rotation of methyl groups can be calculated by assuming that they are solely due to repulsion between hydrogen atoms according to the law Vij=4.99 ×105/rij5. For dimethyl ether, dimethyl sulfide, and propylene the empirically calculated values are low. This discrepancy is discussed. This treatment is applied to ethyl and isopropyl alcohol and several normal paraffins. The resulting entropies, heat capacities, and equilibrium constants are compared with the available experimental data.Keywords
This publication has 32 references indexed in Scilit:
- The Heat Capacity, Heats of Transition, Fusion and Vaporization, Vapor Pressure and Entropy of 1,1,1-TrifluoroethaneJournal of the American Chemical Society, 1944
- Heat Capacities of and Hindered Rotation in n-Butane and Isobutane1Journal of the American Chemical Society, 1943
- The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressure of Silicon TetramethylJournal of the American Chemical Society, 1941
- The Heat Capacity and Entropy, Heats of Fusion and Vaporization, and the Vapor Pressure of Dimethyl Ether. The Density of Gaseous Dimethyl EtherJournal of the American Chemical Society, 1941
- The Heat Capacity and Entropy, Heats of Fusion and Vaporization and the Vapor Pressure of n-PentaneJournal of the American Chemical Society, 1940
- Internal Rotation and Resonance in HydrocarbonsJournal of the American Chemical Society, 1939
- The Entropy of Ethane and the Third Law of Thermodynamics. Hindered Rotation of Methyl GroupsJournal of the American Chemical Society, 1937
- The Heat Capacity of Ethane from 15°K. to the Boiling Point. The Heat of Fusion and the Heat of VaporizationJournal of the American Chemical Society, 1937
- Heat Capacities and Entropies of Organic Compounds. II. Thermal and Vapor Pressure Data for Tetramethylmethane from 13.22°K. to the Boiling Point. The Entropy from its Raman SpectrumJournal of the American Chemical Society, 1936
- The Moles of Vibration of Butane and Pentane. ``Free Rotation'' about Carbon-Carbon Bonds and a New Type of StereoisomerismThe Journal of Chemical Physics, 1935