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Quantitative structure‐property relationships for normal saturated and unsaturated fatty acids
Author(s) -
Dutt N. V. K.,
Kumar Y. V. L. Ravi,
Vedanayagam H. Sumathi
Publication year - 1992
Publication title -
journal of the american oil chemists' society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.512
H-Index - 117
eISSN - 1558-9331
pISSN - 0003-021X
DOI - 10.1007/bf02637697
Subject(s) - boiling point , chemistry , combustion , melting point , boiling , refraction , organic chemistry , thermodynamics , optics , physics
Quantitative structure‐property relationships, a technique of deriving properties of compounds from knowledge of their structures, has been applied to aliphatic carboxylic acids, an industrially important group of compounds. Equations have been developed from the molecular connectivity of the first order and the molar refraction as inputs which, on testing with data of seven properties, yielded average absolute deviations ranging between 0.9 and 6.7%. The compounds studied ranged between C 1 and C 30 for saturated and C 3 to C 22 for unsaturated fatty acids. The properties studied are normal melting and boiling points, critical temperature and pressure, and heats of fusion, combustion and formation.