Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl propyl ester

InChI

InChI=1S/C15H26O4/c1-5-10-18-13(16)15(3,4)14(17)19-12-8-6-11(2)7-9-12/h11-12H,5-10H2,1-4H3

InChI Key

LTWDJISZAVEHMD-UHFFFAOYSA-N

Formula

C15H26O4

SMILES

CCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

270.36

• 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).
• 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, 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	[319.05; 802.61]	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			-4.40680e+01
Coefficient B			1.54068e+00
Coefficient C			-8.00400e-04
Coefficient D			1.06400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.05	J/mol×K	273.00	Calculated Property
Cp,gas	405.52	J/mol×K	353.78	Calculated Property
Cp,gas	483.03	J/mol×K	434.56	Calculated Property
Cp,gas	551.90	J/mol×K	515.33	Calculated Property
Cp,gas	612.47	J/mol×K	596.11	Calculated Property
Cp,gas	665.07	J/mol×K	676.89	Calculated Property
Cp,gas	710.06	J/mol×K	757.67	Calculated Property
Cp,gas	747.75	J/mol×K	838.44	Calculated Property
Cp,gas	778.49	J/mol×K	919.22	Calculated Property
Cp,gas	802.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033917; 0.0001353]	Pa×s	[349.03; 611.52]	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			-1.31912e+01
Coefficient B			2.61940e+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.			349.03
Temperature range, max.			611.52
η	0.0033917	Pa×s	349.03	Calculated Property
η	0.0019014	Pa×s	378.20	Calculated Property
η	0.0011580	Pa×s	407.36	Calculated Property
η	0.0007536	Pa×s	436.53	Calculated Property
η	0.0005175	Pa×s	465.69	Calculated Property
η	0.0003715	Pa×s	494.86	Calculated Property
η	0.0002767	Pa×s	524.02	Calculated Property
η	0.0002126	Pa×s	553.19	Calculated Property
η	0.0001677	Pa×s	582.35	Calculated Property
η	0.0001353	Pa×s	611.52	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl propyl 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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