Chemical Properties of Dimethyl 2,2-dichlorobutanedioate

InChI

InChI=1S/C6H8Cl2O4/c1-11-4(9)3-6(7,8)5(10)12-2/h3H2,1-2H3

InChI Key

UKJLCUUEQJDIOP-UHFFFAOYSA-N

Formula

C6H8Cl2O4

SMILES

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

Molecular Weight¹

215.03

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[190.79; 363.10]	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			4.95610e+01
Coefficient B			6.03640e-01
Coefficient C			-3.26000e-04
Coefficient D			3.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.79	J/mol×K	273.00	Calculated Property
Cp,gas	223.90	J/mol×K	353.78	Calculated Property
Cp,gas	253.26	J/mol×K	434.56	Calculated Property
Cp,gas	278.97	J/mol×K	515.33	Calculated Property
Cp,gas	301.16	J/mol×K	596.11	Calculated Property
Cp,gas	319.93	J/mol×K	676.89	Calculated Property
Cp,gas	335.39	J/mol×K	757.67	Calculated Property
Cp,gas	347.67	J/mol×K	838.44	Calculated Property
Cp,gas	356.86	J/mol×K	919.22	Calculated Property
Cp,gas	363.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046702; 0.0002394]	Pa×s	[304.30; 510.53]	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			-1.27212e+01
Coefficient B			2.23802e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			304.30
Temperature range, max.			510.53
η	0.0046702	Pa×s	304.30	Calculated Property
η	0.0027903	Pa×s	327.21	Calculated Property
η	0.0017834	Pa×s	350.13	Calculated Property
η	0.0012043	Pa×s	373.04	Calculated Property
η	0.0008511	Pa×s	395.96	Calculated Property
η	0.0006247	Pa×s	418.87	Calculated Property
η	0.0004735	Pa×s	441.79	Calculated Property
η	0.0003688	Pa×s	464.70	Calculated Property
η	0.0002941	Pa×s	487.61	Calculated Property
η	0.0002394	Pa×s	510.53	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2,2-dichlorobutanedioate.

Sources

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

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