CCL: gas phase entropy

From: "Pierre Archirel" <pierre.archirel.],[.u-psud.fr>
Subject: CCL: gas phase entropy
Date: Wed, 21 Mar 2012 11:02:03 -0400

 Sent to CCL by: "Pierre  Archirel" [pierre.archirel^u-psud.fr]
 Dear colleagues,
 I wish informations on the calculation of gas phase entropies, namely:
 1- are the tabulated measured values accurate? In one case (acetonitrile) they
 are obtained from the addition of condensed phase entropies and vaporisation
 entropy... Is this general? Is the direct measurement impossible?
 2- what is the accuracy of the usual calculations, i.e. Sackur-Tetrode, rigid
 rotor and harmonic analysis? Is there some work comparing methods, bases,
 anharmonicities, etc?
 Thanks in advance,
 Pierre Archirel
 LCP, Universite Paris-Sud, Orsay