On Molecular Polarizability: 2. Relationship to the Boiling Point of Alkanes and Alcohols
Chenzhong CaoDepartment of Chemistry, Xiangtan Normal University, Xiangtan 411201, People's Republic of China, Department of Chemistry and Chemical Engineering, Institute of Chemometrics and Pharmacy, Hunan University, Changsha 410082, People's Republic of China, Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, People's Republic of China, and Department of Applied Chemistry, Chongqing University, Chongqing 630044, People's Republic of ChinaShu‐Shen LiuDepartment of Chemistry, Xiangtan Normal University, Xiangtan 411201, People's Republic of China, Department of Chemistry and Chemical Engineering, Institute of Chemometrics and Pharmacy, Hunan University, Changsha 410082, People's Republic of China, Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, People's Republic of China, and Department of Applied Chemistry, Chongqing University, Chongqing 630044, People's Republic of ChinaZhiliang LiDepartment of Chemistry, Xiangtan Normal University, Xiangtan 411201, People's Republic of China, Department of Chemistry and Chemical Engineering, Institute of Chemometrics and Pharmacy, Hunan University, Changsha 410082, People's Republic of China, Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, People's Republic of China, and Department of Applied Chemistry, Chongqing University, Chongqing 630044, People's Republic of China
1999en
ABI
Annotatsiya
The inner molecular polarizability index (IMPI) was developed based on the polarizability effect index (PEI). Three parameters were calculated: NC(eff), the quasi-length of carbon chain; ΔPEIOH, the difference of polarizability effect index (PEI) of alkyl substituents in alcohols; and POH, the proportion of oxygen atom in the OH group to the total number of carbon and oxygen atoms in the alcohol. The multiple regression analysis (MRA) correlating boiling point with the three parameters was carried out for 211 alkanes and 117 alcohols. Excellent results were obtained with the correlation coefficient r = 0.9990 and standard deviation s = 6.02 °C.
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