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Simple Descriptors for Modeling the Solubility of Gases, Alcohols, and Halogenated Hydrocarbons in Water

Sidigu, Sule
http://rave.ohiolink.edu/etdc/view?acc_num=wright1195010941

Abstract Details

2007, Master of Science (MS), Wright State University, Chemistry.
The Statmost, QSARIS, Excel, and SAS programs were used to model the solubility of gases, alcohols, and halogenated hydrocarbons in water using simple physical and topological descriptors. The alcohols were well-modeled using measures of the number of carbons, terminal methyls, and steric hindrance about the hydroxyl group. Molecular mass, boiling point, and critical volume or critical pressure were the best descriptors for the halogenated hydrocarbons. Critical pressure was the most applicable single descriptor for the gases. Molecular mass and boiling point also yielded good results for the gases and halogenated hydrocarbons when regressed together.
Rubin Battino (Advisor)
131 p.
Chemistry, Physical
water solubility; halogenated hydrocarbons solubility in water; gas solubility in water; alcohol solubility in water

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Citations

  • Sidigu, S. (2007). Simple Descriptors for Modeling the Solubility of Gases, Alcohols, and Halogenated Hydrocarbons in Water [Master's thesis, Wright State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=wright1195010941

    APA Style (7th edition)

  • Sidigu, Sule. Simple Descriptors for Modeling the Solubility of Gases, Alcohols, and Halogenated Hydrocarbons in Water. 2007. Wright State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=wright1195010941.

    MLA Style (8th edition)

  • Sidigu, Sule. "Simple Descriptors for Modeling the Solubility of Gases, Alcohols, and Halogenated Hydrocarbons in Water." Master's thesis, Wright State University, 2007. http://rave.ohiolink.edu/etdc/view?acc_num=wright1195010941

    Chicago Manual of Style (17th edition)

wright1195010941
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© 2007, all rights reserved.
This open access ETD is published by Wright State University and OhioLINK.