Estimation of entropy of vaporization: Effect of chain length

Dinesh S. Mishra; Samuel H. Yalkowsky

doi:10.1016/0045-6535(90)90384-6

Estimation of entropy of vaporization: Effect of chain length

Dinesh S. Mishra, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

The entropy of vaporization of organic non-hydrogen bonding compounds can be estimated by using the following modifications of Trouton's rule: (1) for rigid molecules, ΔS_v = 20 cal/deg·mole; (2) for long chain derivatives of such molecules, ΔS_v = 20 + 0.16(n-5) cal/deg·mole, where n is the number of flexible links in the chain, and n > 5. These simple rules provide a good estimation for the entropy of vaporization which is sufficiently accurate to obtain reasonable estimations of vapor pressure.

Original language	English (US)
Pages (from-to)	111-117
Number of pages	7
Journal	Chemosphere
Volume	21
Issue number	1-2
DOIs	https://doi.org/10.1016/0045-6535(90)90384-6
State	Published - 1990

ASJC Scopus subject areas

Environmental Engineering
Environmental Chemistry
General Chemistry
Pollution
Health, Toxicology and Mutagenesis

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10.1016/0045-6535(90)90384-6

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abstract = "The entropy of vaporization of organic non-hydrogen bonding compounds can be estimated by using the following modifications of Trouton's rule: (1) for rigid molecules, ΔSv = 20 cal/deg·mole; (2) for long chain derivatives of such molecules, ΔSv = 20 + 0.16(n-5) cal/deg·mole, where n is the number of flexible links in the chain, and n > 5. These simple rules provide a good estimation for the entropy of vaporization which is sufficiently accurate to obtain reasonable estimations of vapor pressure.",

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T2 - Effect of chain length

AU - Mishra, Dinesh S.

AU - Yalkowsky, Samuel H.

PY - 1990

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N2 - The entropy of vaporization of organic non-hydrogen bonding compounds can be estimated by using the following modifications of Trouton's rule: (1) for rigid molecules, ΔSv = 20 cal/deg·mole; (2) for long chain derivatives of such molecules, ΔSv = 20 + 0.16(n-5) cal/deg·mole, where n is the number of flexible links in the chain, and n > 5. These simple rules provide a good estimation for the entropy of vaporization which is sufficiently accurate to obtain reasonable estimations of vapor pressure.

AB - The entropy of vaporization of organic non-hydrogen bonding compounds can be estimated by using the following modifications of Trouton's rule: (1) for rigid molecules, ΔSv = 20 cal/deg·mole; (2) for long chain derivatives of such molecules, ΔSv = 20 + 0.16(n-5) cal/deg·mole, where n is the number of flexible links in the chain, and n > 5. These simple rules provide a good estimation for the entropy of vaporization which is sufficiently accurate to obtain reasonable estimations of vapor pressure.

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SP - 111

EP - 117

JO - Chemosphere

JF - Chemosphere

IS - 1-2

ER -

Estimation of entropy of vaporization: Effect of chain length

Abstract

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