| Autor: |
Liang-chao, Li, Cai-hua, Ni, Qiu-yue, Lin |
| Zdroj: |
Wuhan University Journal of Natural Sciences; Jun2003, Vol. 8 Issue 2, p451-454, 4p |
| Abstrakt: |
A mathematical model formulated as $$\Delta _{\user2{f}} H_m^\theta \left( g \right) = a + \sum\limits_{i = 1}^5 {b_i p_i } \left( {i \ne 2} \right)$$ was constructed for the relationship between standard formation enthalpy $$\Delta _{\user2{f}} H_m^\theta \left( g \right)$$ and path index P i of substituted benzenes derivatives. An empiric equation for the calculation of $$\Delta _{\user2{f}} H_m^\theta \left( g \right)$$ was worked out. The calculated values of standard formation enthalpy based on this model are excellently consistent with those from experimental for 55 organic compounds. The model is shown to be simple and of practical usefulness, particularly when required experimental data are unavailable. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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