Excess enthalpies of binary mixtures of ortho-, meta-, para-structural isomers containing aliphatic group

Benchmark thermodynamic properties of methylanisoles: Experimental and theoretical study

“…Our results therefore confirm that liquid-phase enthalpy of formation data can be accurately obtained by using gas-phase enthalpies of formation computed with high-level quantum chemical calculation, together with experimental data of vaporisation enthalpies [9]. The differences between experimental and quantum chemistry-based D f H m (l) values lie within the so-called chemical accuracy (ca.…”

“…Compounds Formula q c p 10 À6 Á(dV/dT) p g Á cm À3 J Á K À1 Á g À1 dm 3 Á K À1 a Taken from reference [9]. b Calculated by the group-contribution procedure [12].…”