I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for CH₂CHCl (Ethene, chloro-)

Other names
Chlorethene; Chlorethylene; Chloroethene; Chloroethylene; Chlorure de vinyle; Cloruro di vinile; Ethene, chloro-; Ethylene monochloride; Ethylene, chloro-; Monochloroethene; Monochloroethylene; Rcra waste number U043; Vinyl chloride monomer; Vinylchlorid; Winylu chlorek; VC; Vinyl C monomer; Vinyl chloride; Vinyl chloride, inhibited; Trovidur; Vinyle(chlorure de); UN 1086; VCM; Vinile;

INChI
InChI=1/C2H3Cl/c1-2-3/h2H,1H2

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		243
	Energy 298.15K		226
	Atomization Enthalpy 298.15K	x	220	x
	Atomization Enthalpy 0K		225
	Entropy (298.15K)	x	208	x
	Entropy at any temperature		208
	Integrated Heat Capacity	x	208	x
	Heat Capacity (Cp)	x	208	x
	Nuclear Repulsion Energy		206
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	178
	Internal Coordinates	x	178	x
	Products of moments of inertia	x	186	x
	Rotational Constants	x	190	x
	Point Group		191
Vibrations	Vibrational Frequencies	x	188	x
	Vibrational Intensities		182
	Zero-point energies	x	188	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		159
	Dipole	x	151	x
	Quadrupole		146
	Polarizability		133
Other results	Spin		0
	Number of basis functions		28
	Diagnostics		5
	Conformations		1