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| | {{Stub-general}} |
| {{Jmol_general|hexane.pdb|''n''-hexane}} | | {{Jmol_general|hexane.pdb|''n''-hexane}} |
| '''Hexane''' is an [[Realistic_models#Alkanes |alkane]] with the molecular formula C<sub>6</sub>H<sub>14</sub>. | | '''Hexane''' is an [[Realistic_models#Alkanes |alkane]] with the molecular formula C<sub>6</sub>H<sub>12</sub>. |
| ==Critical properties==
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| The [[pressure]], [[temperature]] and density at the [[Critical points |critical point]] have been calculated for a [[virial equation of state]] using the [[TraPPE force field |TraPPE-UA]] [[Force fields | force field]], and are given in Table I of <ref>[http://dx.doi.org/10.1063/1.3486085 Andrew J. Schultz and David A. Kofke "Virial coefficients of model alkanes", Journal of Chemical Physics '''133''' 104101 (2010)]</ref>.
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| ==Virial coefficients==
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| The virial coefficients [[Second virial coefficient | <math>B_2</math>]]-<math>B_5</math> as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke <ref>[ftp://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-133-004034/c6.txt Schultz and Kofke EPAPS data]</ref>.
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| ==See also== | | ==See also== |
| *[[Cyclohexane]] | | *[[Cyclohexane]] |