Butane

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n-butane

Butane (C4H10) (n-butane).

Models

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

Isobutane is the branched isomer of butane.


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Isobutane

Critical properties

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].

References

Related reading