Chemical Properties of Dimethyl dichloromalonate

InChI

InChI=1S/C5H6Cl2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3

InChI Key

IELVZWLJMUPAEK-UHFFFAOYSA-N

Formula

C5H6Cl2O4

SMILES

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

Molecular Weight¹

201.01

• 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).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[169.57; 311.51]	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			5.04700e+01
Coefficient B			5.08640e-01
Coefficient C			-2.71600e-04
Coefficient D			2.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.57	J/mol×K	273.00	Calculated Property
Cp,gas	197.49	J/mol×K	353.78	Calculated Property
Cp,gas	222.18	J/mol×K	434.56	Calculated Property
Cp,gas	243.75	J/mol×K	515.33	Calculated Property
Cp,gas	262.25	J/mol×K	596.11	Calculated Property
Cp,gas	277.76	J/mol×K	676.89	Calculated Property
Cp,gas	290.37	J/mol×K	757.67	Calculated Property
Cp,gas	300.15	J/mol×K	838.44	Calculated Property
Cp,gas	307.17	J/mol×K	919.22	Calculated Property
Cp,gas	311.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051257; 0.0002553]	Pa×s	[293.03; 496.65]	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			-1.25897e+01
Coefficient B			2.14386e+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.			293.03
Temperature range, max.			496.65
η	0.0051257	Pa×s	293.03	Calculated Property
η	0.0030340	Pa×s	315.65	Calculated Property
η	0.0019264	Pa×s	338.28	Calculated Property
η	0.0012948	Pa×s	360.90	Calculated Property
η	0.0009121	Pa×s	383.53	Calculated Property
η	0.0006680	Pa×s	406.15	Calculated Property
η	0.0005056	Pa×s	428.78	Calculated Property
η	0.0003935	Pa×s	451.40	Calculated Property
η	0.0003137	Pa×s	474.02	Calculated Property
η	0.0002553	Pa×s	496.65	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl dichloromalonate.

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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