Chemical Properties of Dimethylmalonic acid, isohexyl 3-methylbutyl ester

InChI

InChI=1S/C16H30O4/c1-12(2)8-7-10-19-14(17)16(5,6)15(18)20-11-9-13(3)4/h12-13H,7-11H2,1-6H3

InChI Key

CKGBPYWHBQGZGV-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)OCCC(C)C

Molecular Weight¹

286.41

• 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).
• 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_c : Critical 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 Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[375.49; 863.55]	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			1.13250e+01
Coefficient B			1.55192e+00
Coefficient C			-8.35600e-04
Coefficient D			1.35900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.49	J/mol×K	273.00	Calculated Property
Cp,gas	461.79	J/mol×K	353.78	Calculated Property
Cp,gas	539.08	J/mol×K	434.56	Calculated Property
Cp,gas	607.77	J/mol×K	515.33	Calculated Property
Cp,gas	668.30	J/mol×K	596.11	Calculated Property
Cp,gas	721.10	J/mol×K	676.89	Calculated Property
Cp,gas	766.59	J/mol×K	757.67	Calculated Property
Cp,gas	805.21	J/mol×K	838.44	Calculated Property
Cp,gas	837.38	J/mol×K	919.22	Calculated Property
Cp,gas	863.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055065; 0.0000947]	Pa×s	[327.16; 601.77]	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			-1.41046e+01
Coefficient B			2.91262e+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.			327.16
Temperature range, max.			601.77
η	0.0055065	Pa×s	327.16	Calculated Property
η	0.0025765	Pa×s	357.67	Calculated Property
η	0.0013585	Pa×s	388.18	Calculated Property
η	0.0007863	Pa×s	418.70	Calculated Property
η	0.0004902	Pa×s	449.21	Calculated Property
η	0.0003245	Pa×s	479.72	Calculated Property
η	0.0002257	Pa×s	510.23	Calculated Property
η	0.0001636	Pa×s	540.75	Calculated Property
η	0.0001227	Pa×s	571.26	Calculated Property
η	0.0000947	Pa×s	601.77	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, isohexyl 3-methylbutyl ester.

Sources

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

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