Chemical Properties of 2-Chloroethyl carbonate (CAS 623-97-2)

InChI

InChI=1S/C5H8Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H2

InChI Key

WQULVXNWEYLDJY-UHFFFAOYSA-N

Formula

C5H8Cl2O3

SMILES

O=C(OCCCl)OCCCl

Molecular Weight¹

187.02

CAS

623-97-2

Other Names

• Carbonic acid bis(2-chloroethyl) ester
• Ethanol, 2-chloro-, carbonate (2:1)
• Bis(2-chloroethyl)carbonate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.10; 320.43]	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			7.50340e+01
Coefficient B			3.74400e-01
Coefficient C			-8.34000e-05
Coefficient D			-4.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.10	J/mol×K	273.00	Calculated Property
Cp,gas	195.03	J/mol×K	353.78	Calculated Property
Cp,gas	218.24	J/mol×K	434.56	Calculated Property
Cp,gas	239.59	J/mol×K	515.33	Calculated Property
Cp,gas	258.92	J/mol×K	596.11	Calculated Property
Cp,gas	276.11	J/mol×K	676.89	Calculated Property
Cp,gas	290.99	J/mol×K	757.67	Calculated Property
Cp,gas	303.44	J/mol×K	838.44	Calculated Property
Cp,gas	313.30	J/mol×K	919.22	Calculated Property
Cp,gas	320.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033457; 0.0002762]	Pa×s	[270.51; 460.45]	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			-1.17468e+01
Coefficient B			1.63569e+03
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.			270.51
Temperature range, max.			460.45
η	0.0033457	Pa×s	270.51	Calculated Property
η	0.0021599	Pa×s	291.61	Calculated Property
η	0.0014793	Pa×s	312.72	Calculated Property
η	0.0010628	Pa×s	333.82	Calculated Property
η	0.0007942	Pa×s	354.93	Calculated Property
η	0.0006132	Pa×s	376.03	Calculated Property
η	0.0004866	Pa×s	397.13	Calculated Property
η	0.0003953	Pa×s	418.24	Calculated Property
η	0.0003276	Pa×s	439.34	Calculated Property
η	0.0002762	Pa×s	460.45	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroethyl carbonate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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