Butane: Difference between revisions
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{{Jmol_general|butane.pdb|n-butane}} | |||
'''Butane''' (C<sub>4</sub>H<sub>10</sub>) (n-butane). The [[NERD]] parameters are: | '''Butane''' (C<sub>4</sub>H<sub>10</sub>) (n-butane). The [[NERD]] parameters are: | ||
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==Isobutane== | ==Isobutane== | ||
Isobutane is the branched isomer of butane. | Isobutane is the branched isomer of butane. | ||
{{Jmol_general|isobutane.pdb|Isobutane}} | |||
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==References== | ==References== | ||
#[http://dx.doi.org/10.1016/0009-2614(75)85513-8 J. -P. Ryckaert and A. Bellemans "Molecular dynamics of liquid n-butane near its boiling point", Chemical Physics Letters '''30''' pp. 123-125 (1975)] | #[http://dx.doi.org/10.1016/0009-2614(75)85513-8 J. -P. Ryckaert and A. Bellemans "Molecular dynamics of liquid n-butane near its boiling point", Chemical Physics Letters '''30''' pp. 123-125 (1975)] | ||
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#[http://dx.doi.org/10.1063/1.473993 Norman L. Allinger, Justin T. Fermann, Wesley D. Allen, and Henry F. Schaefer III "The torsional conformations of butane: Definitive energetics from ab initio methods", Journal of Chemical Physics '''106''' pp. 5143-5150 (1997)] | #[http://dx.doi.org/10.1063/1.473993 Norman L. Allinger, Justin T. Fermann, Wesley D. Allen, and Henry F. Schaefer III "The torsional conformations of butane: Definitive energetics from ab initio methods", Journal of Chemical Physics '''106''' pp. 5143-5150 (1997)] | ||
[[category: models]] | [[category: models]] | ||
[[category: Contains Jmol]] | |||
Revision as of 10:46, 1 June 2009
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This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>butane.pdb</wikiPageContents> </jmolApplet></jmol> |
Butane (C4H10) (n-butane). The NERD parameters are:
Molecule butane 3.91 3.93 104.0 K 45.8 K
Isobutane
Isobutane is the branched isomer of butane.
<jmol> <jmolApplet> <script>set spin X 10; spin on</script> <size>200</size> <color>lightgrey</color> <wikiPageContents>isobutane.pdb</wikiPageContents> </jmolApplet></jmol> |
References
- J. -P. Ryckaert and A. Bellemans "Molecular dynamics of liquid n-butane near its boiling point", Chemical Physics Letters 30 pp. 123-125 (1975)
- Gisèle Marechal and Jean-Paul Ryckaert "Atomic versus molecular description of transport properties in polyatomic fluids: n-butane as an illustration", Chemical Physics Letters 101 pp. 548-554 (1983)
- E. Enciso, J. Alonso, N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. I. Conformational properties of modeled n-butane", Journal of Chemical Physics 90 pp. 413-421 (1989)
- E. Enciso, J. Alonso, N. G. Almarza, and F. J. Bermejo "Statistical mechanics of small chain molecular liquids. II. Structure and thermodynamic properties of modeled n-butane liquid", Journal of Chemical Physics 90 pp. 422-430 (1989)
- N. G. Almarza, E. Enciso, J. Alonso, F. J. Bermejo and M. Alvarez "Monte Carlo simulations of liquid n-butane", Molecular Physics 70 pp. 485-504 (1990)
- Norman L. Allinger, Justin T. Fermann, Wesley D. Allen, and Henry F. Schaefer III "The torsional conformations of butane: Definitive energetics from ab initio methods", Journal of Chemical Physics 106 pp. 5143-5150 (1997)