Chemical Properties of 1,2-Dichloroethylene (CAS 540-59-0)

InChI

InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H

InChI Key

KFUSEUYYWQURPO-UHFFFAOYSA-N

Formula

C2H2Cl2

SMILES

ClC=CCl

Molecular Weight¹

96.94

CAS

540-59-0

Other Names

• 1,2-Dichlor-aethen
• 1,2-Dichloroethene
• 1,2-Dichloroethene (mixed isomers)
• 1,2-Dichloroethene,c&t
• 1,2-Dichloroethylene (cis & trans)
• 1,2-Dichloroethylene,c&t
• Acetylene dichloride
• Dichloro-1,2-ethylene
• Dioform
• Ethene, 1,2-dichloro-
• Ethylene, 1,2-dichloro-
• NCI-C56031
• sym-Dichloroethylene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2330		Relay (1.0) Calculated Property
ΔfG°	22.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-11.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.53	kJ/mol	Joback Calculated Property
ΔvapH°	30.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
logPoct/wat	1.935		Crippen Calculated Property
McVol	59.220	ml/mol	McGowan Calculated Property
Pc	4876.56	kPa	Joback Calculated Property
Inp	[533.00; 556.00]
Inp	533.00		NIST
Inp	552.00		NIST
Inp	552.00		NIST
Inp	556.00		NIST
Inp	556.00		NIST
Ip	[846.00; 861.00]
Ip	861.00		NIST
Ip	856.00		NIST
Ip	846.00		NIST
Ip	856.00		NIST
Tboil	329.85	K	Relay (1.0) Calculated Property
Tc	515.64	K	Relay (1.0) Calculated Property
Tfus	216.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[105.00; 114.00]	J/mol×K	[270.00; 310.00]
Cp,liquid	105.00	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	106.00	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	107.00	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	112.10	J/mol×K	298.00	NIST
Cp,liquid	111.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	112.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	114.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[60.72; 108.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.26700e+01
Coefficient B			2.27400e-01
Coefficient C			-2.09600e-04
Coefficient D			7.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	60.72	J/mol×K	273.00	Calculated Property
Cp,gas	70.34	J/mol×K	353.78	Calculated Property
Cp,gas	78.31	J/mol×K	434.56	Calculated Property
Cp,gas	84.87	J/mol×K	515.33	Calculated Property
Cp,gas	90.27	J/mol×K	596.11	Calculated Property
Cp,gas	94.75	J/mol×K	676.89	Calculated Property
Cp,gas	98.57	J/mol×K	757.67	Calculated Property
Cp,gas	101.96	J/mol×K	838.44	Calculated Property
Cp,gas	105.18	J/mol×K	919.22	Calculated Property
Cp,gas	108.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009518; 0.0002071]	Pa×s	[216.15; 362.16]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.07399e+01
Coefficient B			8.17640e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			216.15
Temperature range, max.			362.16
η	0.0009518	Pa×s	216.15	Calculated Property
η	0.0007309	Pa×s	232.37	Calculated Property
η	0.0005809	Pa×s	248.60	Calculated Property
η	0.0004749	Pa×s	264.82	Calculated Property
η	0.0003974	Pa×s	281.04	Calculated Property
η	0.0003391	Pa×s	297.27	Calculated Property
η	0.0002941	Pa×s	313.49	Calculated Property
η	0.0002587	Pa×s	329.72	Calculated Property
η	0.0002303	Pa×s	345.94	Calculated Property
η	0.0002071	Pa×s	362.16	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dichloroethylene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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