Chemical Properties of Diethylmalonic acid, monochloride, 3-methylpent-2-yl ester

InChI

InChI=1S/C13H23ClO3/c1-6-9(4)10(5)17-12(16)13(7-2,8-3)11(14)15/h9-10H,6-8H2,1-5H3

InChI Key

ZDDBPJOVXZSLHJ-UHFFFAOYSA-N

Formula

C13H23ClO3

SMILES

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

Molecular Weight¹

262.77

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[309.84; 697.95]	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			8.89300e+00
Coefficient B			1.30050e+00
Coefficient C			-7.68700e-04
Coefficient D			1.57260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.84	J/mol×K	273.00	Calculated Property
Cp,gas	379.73	J/mol×K	353.78	Calculated Property
Cp,gas	441.78	J/mol×K	434.56	Calculated Property
Cp,gas	496.46	J/mol×K	515.33	Calculated Property
Cp,gas	544.29	J/mol×K	596.11	Calculated Property
Cp,gas	585.76	J/mol×K	676.89	Calculated Property
Cp,gas	621.36	J/mol×K	757.67	Calculated Property
Cp,gas	651.59	J/mol×K	838.44	Calculated Property
Cp,gas	676.96	J/mol×K	919.22	Calculated Property
Cp,gas	697.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053080; 0.0001620]	Pa×s	[330.87; 584.99]	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			-1.32717e+01
Coefficient B			2.65793e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			330.87
Temperature range, max.			584.99
η	0.0053080	Pa×s	330.87	Calculated Property
η	0.0028224	Pa×s	359.11	Calculated Property
η	0.0016455	Pa×s	387.34	Calculated Property
η	0.0010323	Pa×s	415.58	Calculated Property
η	0.0006872	Pa×s	443.81	Calculated Property
η	0.0004803	Pa×s	472.05	Calculated Property
η	0.0003496	Pa×s	500.28	Calculated Property
η	0.0002632	Pa×s	528.52	Calculated Property
η	0.0002039	Pa×s	556.75	Calculated Property
η	0.0001620	Pa×s	584.99	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-methylpent-2-yl ester.

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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