High-accuracy extrapolated ab initio thermochemistry of vinyl chloride

Applying a modified high accuracy extrapolated ab initio thermochemistry (HEAT) scheme, the standard heat of formation of vinyl chloride at 0 K is computed to be 29.79 +/- 1 kJ/mol and at 298.15 K to be 20.9 +/- 2 kJ/mol, thus resolving earlier discrepancies among the available experimental values, which span a range from 21 up to 38 kJ/mol. The enthalpies of the reactions C2H4 + Cl-2 -> CH2CHCl + HCl and C2H2 + HCl -> CH2CHCl at 298.15 K are determined to be - 123.0 and - 113.9 +/- 2 kJ/mol, respectively.