Butane

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n-butane

Butane (C₄H₁₀) (n-butane).

Models[edit]

The NERD parameters are:

Molecule	$\sigma _{\mathrm {CH} _{3}}$	$\sigma _{\mathrm {CH} _{2}}$	$\epsilon _{\mathrm {CH} _{3}}$	$\epsilon _{\mathrm {CH} _{2}}$
butane	3.91 $\mathrm {\AA}$	3.93 $\mathrm {\AA}$	104.0 K	45.8 K

Isobutane[edit]

Isobutane is the branched isomer of butane.

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Isobutane

Critical properties[edit]

The pressure, temperature and density at the critical point have been calculated for a virial equation of state using the TraPPE-UA force field, and are given in Table I of ^[1].

Virial coefficients[edit]

The virial coefficients $B_{2}$ - $B_{6}$ as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke ^[2].

References[edit]

Related reading

[1] Andrew J. Schultz and David A. Kofke "Virial coefficients of model alkanes", Journal of Chemical Physics 133 104101 (2010)

[2] Schultz and Kofke EPAPS data

[1]

[2]