Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship
β Scribed by Katritzky, A.R.; Lobanov, V.S.; Karelson, M.
- Book ID
- 120244387
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 75 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0095-2338
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π SIMILAR VOLUMES
The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was investigated using a quantitative structure-property relationship (QSPR) approach. A five-descriptor equation was obtained with a squared correlation coefficient (R 2 ) of 0.854 and a standard error (S) of 0.2
QSPR (Quantitative Stracture-property Relationship) models for the estimation of boiling points of organic comlxmnds containing halogens, oxygen, or sulfur without hydrogen bonding were established with the CODESSA (Comprehensive Descriptors for Structural and Statistical Analysis) program developed
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