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

InChI

InChI=1S/C25H48O4/c1-8-11-12-13-14-15-16-17-18-28-22(26)25(9-2,10-3)23(27)29-20-21(4)19-24(5,6)7/h21H,8-20H2,1-7H3

InChI Key

LHASJMFCRWBEQB-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

412.65

• 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	[565.27; 1328.79]	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			-1.96470e+01
Coefficient B			2.52684e+00
Coefficient C			-1.49380e-03
Coefficient D			3.15400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	565.27	J/mol×K	273.00	Calculated Property
Cp,gas	701.30	J/mol×K	353.78	Calculated Property
Cp,gas	822.20	J/mol×K	434.56	Calculated Property
Cp,gas	928.98	J/mol×K	515.33	Calculated Property
Cp,gas	1022.62	J/mol×K	596.11	Calculated Property
Cp,gas	1104.13	J/mol×K	676.89	Calculated Property
Cp,gas	1174.51	J/mol×K	757.67	Calculated Property
Cp,gas	1234.75	J/mol×K	838.44	Calculated Property
Cp,gas	1285.84	J/mol×K	919.22	Calculated Property
Cp,gas	1328.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008714; 0.0000229]	Pa×s	[446.01; 755.27]	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			-1.59304e+01
Coefficient B			3.96278e+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.			446.01
Temperature range, max.			755.27
η	0.0008714	Pa×s	446.01	Calculated Property
η	0.0004615	Pa×s	480.37	Calculated Property
η	0.0002661	Pa×s	514.73	Calculated Property
η	0.0001644	Pa×s	549.10	Calculated Property
η	0.0001074	Pa×s	583.46	Calculated Property
η	0.0000736	Pa×s	617.82	Calculated Property
η	0.0000525	Pa×s	652.18	Calculated Property
η	0.0000388	Pa×s	686.54	Calculated Property
η	0.0000294	Pa×s	720.91	Calculated Property
η	0.0000229	Pa×s	755.27	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 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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