Molecular Symmetry and Related Properties
作者:
R.M. Dannenfelser,
N. Surendran,
S.H. Yalkowsky,
期刊:
SAR and QSAR in Environmental Research
(Taylor Available online 1993)
卷期:
Volume 1,
issue 4
页码: 273-292
ISSN:1062-936X
年代: 1993
DOI:10.1080/10629369308029892
出版商: Taylor & Francis Group
关键词: entropy of melting;prediction;estimation
数据来源: Taylor
摘要:
The molecular rotational symmetry number, [sgrave], is defined and evaluated for a wide range of rigid organic compounds. Molecular symmetry is an important determinant of a variety of properties of crystalline substances. It is shown that the entropy of melting, ΔSm, is related to symmetry by ΔSm= 13.5–RIn[sgrave]. Since molecular symmetry plays an important role in the determination of the entropy of melting it is also important in determining vapor pressure and ideal solubility, both of which depend upon entropy of melting.
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