Solubility and Partitioning. 3. the Solubility of Halobenzenes in Water

Samuel H. Yalkowsky; Robert J. Orr; Shri C. Valvani

doi:10.1021/i160072a011

Solubility and Partitioning. 3. the Solubility of Halobenzenes in Water

Samuel H. Yalkowsky
, Robert J. Orr
, Shri C. Valvani

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

116 Scopus citations

Abstract

The aqueous molar solubilities S_w of 26 mono- and multi-halogenated benzenes at 25 ± 1 °C were determined. These values, along with values obtained from the literature for nine additional compounds, can be estimated by log S_w = -0.0095(MP) - 0.9874 log (PC) + 0.7178, where (MP) is the melting point in °C and (PC) is the estimated octanol-water partition coefficient for each halobenzene. The data were also found to be in agreement with log S_w = -0.0103(MP) - 0.04225(TSA) + 3.2970, where (TSA) is the total molecular surface area of the halobenzene.

Original language	English (US)
Pages (from-to)	351-353
Number of pages	3
Journal	Industrial and Engineering Chemistry Fundamentals
Volume	18
Issue number	4
DOIs	https://doi.org/10.1021/i160072a011
State	Published - Nov 1 1979
Externally published	Yes

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General Engineering

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title = "Solubility and Partitioning. 3. the Solubility of Halobenzenes in Water",

abstract = "The aqueous molar solubilities Sw of 26 mono- and multi-halogenated benzenes at 25 ± 1 °C were determined. These values, along with values obtained from the literature for nine additional compounds, can be estimated by log Sw = -0.0095(MP) - 0.9874 log (PC) + 0.7178, where (MP) is the melting point in °C and (PC) is the estimated octanol-water partition coefficient for each halobenzene. The data were also found to be in agreement with log Sw = -0.0103(MP) - 0.04225(TSA) + 3.2970, where (TSA) is the total molecular surface area of the halobenzene.",

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year = "1979",

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journal = "Industrial and Engineering Chemistry Fundamentals",

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TY - JOUR

T1 - Solubility and Partitioning. 3. the Solubility of Halobenzenes in Water

AU - Yalkowsky, Samuel H.

AU - Orr, Robert J.

AU - Valvani, Shri C.

PY - 1979/11/1

Y1 - 1979/11/1

N2 - The aqueous molar solubilities Sw of 26 mono- and multi-halogenated benzenes at 25 ± 1 °C were determined. These values, along with values obtained from the literature for nine additional compounds, can be estimated by log Sw = -0.0095(MP) - 0.9874 log (PC) + 0.7178, where (MP) is the melting point in °C and (PC) is the estimated octanol-water partition coefficient for each halobenzene. The data were also found to be in agreement with log Sw = -0.0103(MP) - 0.04225(TSA) + 3.2970, where (TSA) is the total molecular surface area of the halobenzene.

AB - The aqueous molar solubilities Sw of 26 mono- and multi-halogenated benzenes at 25 ± 1 °C were determined. These values, along with values obtained from the literature for nine additional compounds, can be estimated by log Sw = -0.0095(MP) - 0.9874 log (PC) + 0.7178, where (MP) is the melting point in °C and (PC) is the estimated octanol-water partition coefficient for each halobenzene. The data were also found to be in agreement with log Sw = -0.0103(MP) - 0.04225(TSA) + 3.2970, where (TSA) is the total molecular surface area of the halobenzene.

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DO - 10.1021/i160072a011

M3 - Article

AN - SCOPUS:0018543279

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JO - Industrial and Engineering Chemistry Fundamentals

JF - Industrial and Engineering Chemistry Fundamentals

IS - 4

ER -

Solubility and Partitioning. 3. the Solubility of Halobenzenes in Water

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