(E)-1,2-dichloroethene | Chemical Details

Predicted properties of the compound entered.

ID	KFUSEUYYWQURPO-OWOJBTEDSA-N
Formula	C2H2Cl2
IUPAC Name	(E)-1,2-dichloroethene
SMILES	ClC=CCl
Standard InChI	InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
Standard InChIKey	InChIKey=KFUSEUYYWQURPO-OWOJBTEDSA-N
Cite this record	http://www.chemrtp.com/chemical-info.ce?ID=KFUSEUYYWQURPO-OWOJBTEDSA-N	Copied

Other Names and Identifiers

Standard InChI (User Input)	InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
Standard InChIKey (User Input)	InChIKey=KFUSEUYYWQURPO-OWOJBTEDSA-N
Non-Standard InChI	InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+
Non-Standard InChIKey	InChIKey=KFUSEUYYWQURPO-OWOJBTEDBH
Other Names and Identifiers	1,2-Dichloroethene \| (E)-1,2-Dichloroethene \| (E)-1,2-Dichloroethylene \| 1,2-Dichloroethylene \| 156-60-5 \| 540-59-0 \| 43695-79-0 \| Dichloro-1,2-ethylene [French] \| Dioform \| EINECS 208-750-2 \| Ethene, 1,2-dichloro- \| Ethylene, 1,2-dichloro- \| HSDB 149 \| NCI-C56031 \| sym-Dichloroethylene \| 1,2-Dichloroethylene (trans) \| Dichloroethylene-trans \| c0034 \| trans-1,2-DCE \| 36969_RIEDEL \| CHEBI:18882 \| 1,2-Dichloroethene, trans- \| 4-01-00-00709 (Beilstein Handbook Reference) \| AI3-28786 \| BRN 1420761 \| CCRIS 2505 \| EINECS 205-860-2 \| Ethene, 1,2-dichloro-, (1E)- \| Ethene, 1,2-dichloro-, (E)- (9CI) \| Ethylene, 1,2-dichloro-, trans- \| HCC 1130t \| HSDB 6361 \| NSC 60512 \| R 1130t \| RCRA waste no. U079 \| RCRA waste number U079 \| ETHENE,1,2-DICHLORO (CIS) \| InChI=1/C2H2Cl2/c3-1-2-4/h1-2 \| trans-Dichloroethene \| InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1 \| cis & trans 1,2-Dichloroethylene \| NCGC00091531-02 \| D62209_ALDRICH \| CHEBI:29027 \| 1,2-Dichloraethen \| 35140_FLUKA \| NCGC00091531-01 \| C06791 \| trans-1,2-Dichloroethene \| trans-Acetylene dichloride \| cs & trans 1,2-Dichloroethylene \| cis,trans-1,2-Dichloroethylene \| 1,2-Dichloroethylene, mixture of cis and trans \| D62403_ALDRICH \| 48527_SUPELCO \| 1,2-trans-Dichloroethylene \| 1,trans-2-Dichloroethene \| Acetylene dichloride, trans- \| Dichloroethylene, trans- \| Ethene, 1,2-dichloro-, (E)- \| Ethylene, 1,2-dichloro-, (E)- \| NSC60512 \| WLN: G1U1G-T \| trans-1,2-Dichloroethylene \| trans-Di-1,2-chloroethylene \| trans-Dichloroethylene \| 1,2-DCE \| 1,2-Dichlor-aethen [German] \| 1,2-Dichloroethylene, all isomers \| 2-01-00-00158 (Beilstein Handbook Reference) \| Acetylene dichloride \| BRN 1719345 \| CCRIS 6227

Property

Value

Unit

Accuracy

Absolute Entropy of Ideal Gas at 298.15K and 1bar	71.0841	cal/mol/K
Acentric Factor	0.188950	dimensionless
Critical Compressibility Factor	0.256613	dimensionless	-
Critical Pressure	48.4949	bar
Critical Temperature	514.3914	K
Critical Volume	2.2631e-4	m3/mol
Enthalpy of Formation for Ideal Gas at 298.15K	2.1340	kcal/mol
Liquid Molar Volume at 298.15K	7.5882e-5	m3/mol
Molecular Weight	96.9427	g/mol	-
Net Standard State Enthalpy of Combustion at 298.15K	-233.2613	kcal/mol	-
Normal Boiling Point	326.8084	K
Melting Point	195.6437	K
Refractive Index	1.4483	dimensionless
Solubility Parameter at 298.15K	8993.925	cal(1/2)/m(3/2)
Standard State Absolute Entropy at 298.15K and 1bar	45.0819	cal/mol/K
Standard State Enthalpy of Formation at 298.15K and 1bar	0.876058	kcal/mol
Magnetic Susceptibility	50.1074	ppm
Polarizability	8.1240	A3
Flash Point	284.4523	K
Parachor	177.4309	cm3
Lower Flammability Limit Temperature	275.4801	K
Lower Flammability Limit Volume Percent	9.7010	vol%
Upper Flammability Limit Temperature	271.0284	K
Upper Flammability Limit Volume Percent	12.8013	vol%
Liquid Density at Normal Boiling Point	1.2463e+4	mol/m3
Heat of Vaporization at 298.15K	7.0026	kcal/mol
Heat of Vaporization at Normal Boiling Point	6.9355	kcal/mol
Water Solubility	-1.4138	log(mol/L)

1. Parity plot representing estimated values (x-axes) against the experimental values (y-axes) with the y=x line as a reference. If the estimated and experimental values agree, they should lie close to the y=x line. Upper and lower bar line (I) represents the experimental error range.	2. Statistical analysis representing the degree of agreement. The middle bar shows the portion of the estimated values within the experimental error range. The percentage of the middle bar indicates the level of estimation accuracy in general.