Chemical Properties of Methyl 2,3-dichloro-4-oxopentenoate

InChI

InChI=1S/C6H8Cl2O3/c1-3(9)4(7)5(8)6(10)11-2/h4-5H,1-2H3

InChI Key

GOJJJWQYCJZBOM-UHFFFAOYSA-N

Formula

C6H8Cl2O3

SMILES

COC(=O)C(Cl)C(Cl)C(C)=O

Molecular Weight¹

199.03

• ω : Acentric Factor.
• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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 Methyl 2,3-dichloro-4-oxopentenoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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