The Heats of Combustion and Strain Energies of Bicyclo [n.m.0] alkanes
Chang, SJ; Mcnally, D; 2-Tehrany, S; Mary, S; Hickey, J; Boyd, RH
| HERO ID | 8407496 |
|---|---|
| In Press | No |
| Year | 1970 |
| Title | The Heats of Combustion and Strain Energies of Bicyclo [n.m.0] alkanes |
| Authors | Chang, SJ; Mcnally, D; 2-Tehrany, S; Mary, S; Hickey, J; Boyd, RH |
| Journal | Journal of the American Chemical Society |
| Volume | 92 |
| Issue | 10 |
| Page Numbers | 3109-3118 |
| Abstract | The heats of combustion, vapor pressures, and liquid heat capacities of a number of bicyclic alkanes have been determined. The derived liquid and gas heats of formation in kilocalories mole-1 at 250 are as follows: cis-bicyclo[3.1.0]hexane, 1.3 ± 0.7, 9.3 ± 0.8; cis-bicyclo[4.1.0]heptane, â8.7 ± 0.8, 0.4 ± 1.0; cis-bicyclo[5.1.0]- octane, â14.2 ± 0.5, â3.8 ± 0.7; m-bicyclo[6.1.0]nonane, â19.4 ± 0.8, â7.6 ± 1.0; cis-bicyclo[4.2.0]octane, â16.3 ± 0.8, â6.1 ± 1.1; cw-bicyclo[3.3.0]octane, â32.6 ± 0.3, â22.3 ± 0.5; ;trans-bicyclo[3.3.0]octane, â26.1 ± 0.4, â15.9 ± 0.6; cis-bicyclo[5.3.0]decane, â43.9 ± 0.9, â31.1 ± 1.2. Experimental strain energies are derived from group contributions. Strain energies and geometries are also calculated by energy minimization with a set of transferable valence force potential functions. The agreement of calculated and experimental strain energies is satisfactory. The gas phase thermodynamic functions (free energy and enthalpy functions, heat capacity, and entropy) are also calculated. © 1970, American Chemical Society. All rights reserved. |
| Doi | 10.1021/ja00713a032 |
| Is Certified Translation | No |
| Dupe Override | No |
| Comments | Scopus URL: https://www.scopus.com/inward/record.uri?eid=2-s2.0-33947295730&doi=10.1021%2fja00713a032&partnerID=40&md5=3a573fcc2a4be83088e32e482b73301b |
| Is Public | Yes |
| Language Text | English |