Chemical Properties of Alpha-chloropropionic acid anhydride

InChI

InChI=1S/C6H8Cl2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,1-2H3

InChI Key

OAVBKHDCXXETQR-UHFFFAOYSA-N

Formula

C6H8Cl2O3

SMILES

CC(Cl)C(=O)OC(=O)C(C)Cl

Molecular Weight¹

199.03

• 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_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, 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	[176.21; 343.62]	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			5.26200e+01
Coefficient B			5.16440e-01
Coefficient C			-2.36500e-04
Coefficient D			1.10600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.21	J/mol×K	273.00	Calculated Property
Cp,gas	206.21	J/mol×K	353.78	Calculated Property
Cp,gas	233.29	J/mol×K	434.56	Calculated Property
Cp,gas	257.47	J/mol×K	515.33	Calculated Property
Cp,gas	278.78	J/mol×K	596.11	Calculated Property
Cp,gas	297.26	J/mol×K	676.89	Calculated Property
Cp,gas	312.95	J/mol×K	757.67	Calculated Property
Cp,gas	325.89	J/mol×K	838.44	Calculated Property
Cp,gas	336.10	J/mol×K	919.22	Calculated Property
Cp,gas	343.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066555; 0.0002940]	Pa×s	[279.48; 509.87]	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			-1.19165e+01
Coefficient B			1.92959e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.48
Temperature range, max.			509.87
η	0.0066555	Pa×s	279.48	Calculated Property
η	0.0037289	Pa×s	305.08	Calculated Property
η	0.0022853	Pa×s	330.68	Calculated Property
η	0.0015026	Pa×s	356.28	Calculated Property
η	0.0010452	Pa×s	381.88	Calculated Property
η	0.0007609	Pa×s	407.47	Calculated Property
η	0.0005751	Pa×s	433.07	Calculated Property
η	0.0004485	Pa×s	458.67	Calculated Property
η	0.0003591	Pa×s	484.27	Calculated Property
η	0.0002940	Pa×s	509.87	Calculated Property

Similar Compounds

Find more compounds similar to Alpha-chloropropionic acid anhydride.

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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