Chemical Properties of «alpha»-Chloroethyl chloroformate (CAS 50893-53-3)

InChI

InChI=1S/C3H4Cl2O2/c1-2(4)7-3(5)6/h2H,1H3

InChI Key

QOPVNWQGBQYBBP-UHFFFAOYSA-N

Formula

C3H4Cl2O2

SMILES

CC(Cl)OC(=O)Cl

Molecular Weight¹

142.97

CAS

50893-53-3

Other Names

• 1-Chloroethyl chloroformate
• Carbonochloridic acid, 1-chloroethyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.96; 199.29]	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			4.96700e+01
Coefficient B			2.53520e-01
Coefficient C			-8.88000e-05
Coefficient D			-1.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	111.96	J/mol×K	273.00	Calculated Property
Cp,gas	127.58	J/mol×K	353.78	Calculated Property
Cp,gas	141.83	J/mol×K	434.56	Calculated Property
Cp,gas	154.67	J/mol×K	515.33	Calculated Property
Cp,gas	166.04	J/mol×K	596.11	Calculated Property
Cp,gas	175.91	J/mol×K	676.89	Calculated Property
Cp,gas	184.21	J/mol×K	757.67	Calculated Property
Cp,gas	190.91	J/mol×K	838.44	Calculated Property
Cp,gas	195.95	J/mol×K	919.22	Calculated Property
Cp,gas	199.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0074674; 0.0003006]	Pa×s	[210.74; 418.71]	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			-1.13654e+01
Coefficient B			1.36310e+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.			210.74
Temperature range, max.			418.71
η	0.0074674	Pa×s	210.74	Calculated Property
η	0.0039408	Pa×s	233.85	Calculated Property
η	0.0023331	Pa×s	256.96	Calculated Property
η	0.0015061	Pa×s	280.06	Calculated Property
η	0.0010393	Pa×s	303.17	Calculated Property
η	0.0007559	Pa×s	326.28	Calculated Property
η	0.0005734	Pa×s	349.39	Calculated Property
η	0.0004501	Pa×s	372.49	Calculated Property
η	0.0003635	Pa×s	395.60	Calculated Property
η	0.0003006	Pa×s	418.71	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Chloroethyl chloroformate.

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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