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Propane (C3H8).


The NERD parameters are:

propane 3.857 3.93 102.6 K 45.8 K

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].

Method model (K) (g cm-3)
GEMC[2] TraPPE-UA 368 0.221
2MD[3] flexible TraPPE-UA
2MD[3] TraPPE-UA
2MD[3] rigid TraPPE-UA

Virial coefficients[edit]

The virial coefficients - as a function of temperature for the TraPPE-UA force field have been tabulated by Schultz and Kofke [4].


Related reading