Chemical Properties of Diethylmalonic acid, nonyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C24H46O4/c1-8-11-12-13-14-15-16-17-27-21(25)24(9-2,10-3)22(26)28-19-20(4)18-23(5,6)7/h20H,8-19H2,1-7H3

InChI Key

YCRWRGMLGWJWCB-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

398.62

• 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).
• 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 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	[544.05; 1277.20]	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			-1.87380e+01
Coefficient B			2.43184e+00
Coefficient C			-1.43940e-03
Coefficient D			3.03500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	544.05	J/mol×K	273.00	Calculated Property
Cp,gas	674.88	J/mol×K	353.78	Calculated Property
Cp,gas	791.12	J/mol×K	434.56	Calculated Property
Cp,gas	893.75	J/mol×K	515.33	Calculated Property
Cp,gas	983.71	J/mol×K	596.11	Calculated Property
Cp,gas	1061.97	J/mol×K	676.89	Calculated Property
Cp,gas	1129.49	J/mol×K	757.67	Calculated Property
Cp,gas	1187.23	J/mol×K	838.44	Calculated Property
Cp,gas	1236.15	J/mol×K	919.22	Calculated Property
Cp,gas	1277.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010413; 0.0000272]	Pa×s	[434.74; 736.39]	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			-1.57660e+01
Coefficient B			3.86862e+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.			434.74
Temperature range, max.			736.39
η	0.0010413	Pa×s	434.74	Calculated Property
η	0.0005508	Pa×s	468.26	Calculated Property
η	0.0003172	Pa×s	501.77	Calculated Property
η	0.0001957	Pa×s	535.29	Calculated Property
η	0.0001278	Pa×s	568.81	Calculated Property
η	0.0000876	Pa×s	602.32	Calculated Property
η	0.0000624	Pa×s	635.84	Calculated Property
η	0.0000460	Pa×s	669.36	Calculated Property
η	0.0000349	Pa×s	702.88	Calculated Property
η	0.0000272	Pa×s	736.39	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl 2,4,4-trimethylpentyl 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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