Editing Butane
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'''Butane''' (C<sub>4</sub>H<sub>10</sub>) (n-butane). | '''Butane''' (C<sub>4</sub>H<sub>10</sub>) (n-butane). The [[NERD]] parameters are: | ||
The [[NERD]] parameters are: | |||
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|| 45.8 K | || 45.8 K | ||
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{|name="userboxes" id="userboxes" style="margin-left: 1em; margin-bottom: 0.5em; width: 170px; border: {{{bordercolor|#99B3FF}}} solid 1px; background-color: {{{backgroundcolor|#FFFFFF}}}; {{{extra-css|}}}" align="right" | |||
|- | |||
|<center> | |||
<jmol> | |||
<jmolApplet> | |||
<script>set spin X 10; spin on</script> | |||
<size>200</size> | |||
<color>lightgrey</color> | |||
<wikiPageContents>butane.pdb</wikiPageContents> | |||
</jmolApplet> | |||
</jmol></center> | |||
|- | |||
| <center>n-butane</center> | |||
|- | |||
|} | |||
[[category: Contains Jmol]] | |||
==Isobutane== | ==Isobutane== | ||
Isobutane is the branched isomer of butane. | Isobutane is the branched isomer of butane. | ||
{{ | |||
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|- | |||
|<center> | |||
<jmol> | |||
<jmolApplet> | |||
<script>set spin X 10; spin on</script> | |||
<size>200</size> | |||
<color>lightgrey</color> | |||
<wikiPageContents>isobutane.pdb</wikiPageContents> | |||
</jmolApplet> | |||
</jmol></center> | |||
|- | |||
| <center>Isobutane</center> | |||
|- | |||
|} | |||
==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(83)87031-6 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)] | |||
#[http://dx.doi.org/10.1063/1.456490 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)] | |||
#[http://dx.doi.org/10.1063/1.456491 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)] | |||
#[http://dx.doi.org/10.1080/00268979000101141 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)] | |||
#[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]] | ||