Chemical Properties of 4,5-Dichloro-1,3-dioxolan-2-one (CAS 3967-55-3)

InChI

InChI=1S/C3H2Cl2O3/c4-1-2(5)8-3(6)7-1/h1-2H

InChI Key

BETICXVUVYXEJX-UHFFFAOYSA-N

Formula

C3H2Cl2O3

SMILES

O=C1OC(Cl)C(Cl)O1

Molecular Weight¹

156.95

CAS

3967-55-3

Other Names

• 1,2-Dichloro ethylene carbonate
• 1,3-Dioxolan-2-one, 4,5-dichloro-
• Carbonic acid, cyclic 1,2-dichloroethylene ester
• Cyclic 1,2-dichloroethylene carbonate
• 1,3-Dioxolane, 4,5-dichloro-2-oxo-
• 4,5-Dichloro-1,3-dioxolane-2-one

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.45; 204.67]	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			2.43700e+01
Coefficient B			3.69000e-01
Coefficient C			-2.36500e-04
Coefficient D			4.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.45	J/mol×K	273.00	Calculated Property
Cp,gas	127.43	J/mol×K	353.78	Calculated Property
Cp,gas	143.98	J/mol×K	434.56	Calculated Property
Cp,gas	158.26	J/mol×K	515.33	Calculated Property
Cp,gas	170.42	J/mol×K	596.11	Calculated Property
Cp,gas	180.61	J/mol×K	676.89	Calculated Property
Cp,gas	188.97	J/mol×K	757.67	Calculated Property
Cp,gas	195.67	J/mol×K	838.44	Calculated Property
Cp,gas	200.85	J/mol×K	919.22	Calculated Property
Cp,gas	204.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019765; 0.0005937]	Pa×s	[266.01; 447.60]	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			-9.19106e+00
Coefficient B			7.88620e+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.			266.01
Temperature range, max.			447.60
η	0.0019765	Pa×s	266.01	Calculated Property
η	0.0016037	Pa×s	286.19	Calculated Property
η	0.0013375	Pa×s	306.36	Calculated Property
η	0.0011409	Pa×s	326.54	Calculated Property
η	0.0009913	Pa×s	346.71	Calculated Property
η	0.0008747	Pa×s	366.89	Calculated Property
η	0.0007820	Pa×s	387.07	Calculated Property
η	0.0007069	Pa×s	407.24	Calculated Property
η	0.0006452	Pa×s	427.42	Calculated Property
η	0.0005937	Pa×s	447.60	Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Dichloro-1,3-dioxolan-2-one.

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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