Enthalpy of Vaporization at the boiling point is estimated from a publication by Vetere [29].

(3–55)

The temperature dependence of the enthalpy of vaporization follows the Watson relation [27], [28] and uses an expression developed by Viswanath-Kuloor [30] to correlate to the exponential ‘n’.

(3–56)

(3–57)

Liquid heat capacity and temperature dependence are estimated based on the Missenard Group Additivity based theory [31]. See Chueh-Swanson [34], [35] for the group contribution tables and groups defined in the method.

Two additional estimation techniques are being used conditionally for the sake of robust results.

If Group Based estimation methods produce a boiling temperature that exceeds a critical temperature (perhaps stored in the critical property overrides file), then the following correction is used. The correction uses the theory developed by Klincewicz [32], [33] that relates the critical temperature to boiling temperature.

(3–58)