Chemical Properties of Malonic acid, 3,3-dimethylbut-2-yl heptyl ester

InChI

InChI=1S/C16H30O4/c1-6-7-8-9-10-11-19-14(17)12-15(18)20-13(2)16(3,4)5/h13H,6-12H2,1-5H3

InChI Key

LKNQRPOFIJRSPR-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CCCCCCCOC(=O)CC(=O)OC(C)C(C)(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	[375.80; 863.01]	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			1.30070e+01
Coefficient B			1.54600e+00
Coefficient C			-8.32400e-04
Coefficient D			1.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.80	J/mol×K	273.00	Calculated Property
Cp,gas	461.80	J/mol×K	353.78	Calculated Property
Cp,gas	538.83	J/mol×K	434.56	Calculated Property
Cp,gas	607.32	J/mol×K	515.33	Calculated Property
Cp,gas	667.70	J/mol×K	596.11	Calculated Property
Cp,gas	720.39	J/mol×K	676.89	Calculated Property
Cp,gas	765.84	J/mol×K	757.67	Calculated Property
Cp,gas	804.47	J/mol×K	838.44	Calculated Property
Cp,gas	836.72	J/mol×K	919.22	Calculated Property
Cp,gas	863.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038156; 0.0001029]	Pa×s	[342.16; 600.34]	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			-1.39706e+01
Coefficient B			2.87480e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			342.16
Temperature range, max.			600.34
η	0.0038156	Pa×s	342.16	Calculated Property
η	0.0019921	Pa×s	370.85	Calculated Property
η	0.0011418	Pa×s	399.53	Calculated Property
η	0.0007051	Pa×s	428.22	Calculated Property
η	0.0004626	Pa×s	456.91	Calculated Property
η	0.0003190	Pa×s	485.59	Calculated Property
η	0.0002293	Pa×s	514.28	Calculated Property
η	0.0001706	Pa×s	542.97	Calculated Property
η	0.0001308	Pa×s	571.65	Calculated Property
η	0.0001029	Pa×s	600.34	Calculated Property

Similar Compounds

Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl heptyl ester.

Sources

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

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