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

InChI

InChI=1S/C29H56O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-32-26(30)29(9-2,10-3)27(31)33-24-25(4)23-28(5,6)7/h25H,8-24H2,1-7H3

InChI Key

MGAIFHHSVBXKMT-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

468.75

• 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	[650.12; 1535.16]	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			-2.32830e+01
Coefficient B			2.90684e+00
Coefficient C			-1.71140e-03
Coefficient D			3.63000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	650.12	J/mol×K	273.00	Calculated Property
Cp,gas	806.97	J/mol×K	353.78	Calculated Property
Cp,gas	946.51	J/mol×K	434.56	Calculated Property
Cp,gas	1069.89	J/mol×K	515.33	Calculated Property
Cp,gas	1178.27	J/mol×K	596.11	Calculated Property
Cp,gas	1272.78	J/mol×K	676.89	Calculated Property
Cp,gas	1354.57	J/mol×K	757.67	Calculated Property
Cp,gas	1424.80	J/mol×K	838.44	Calculated Property
Cp,gas	1484.62	J/mol×K	919.22	Calculated Property
Cp,gas	1535.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004253; 0.0000110]	Pa×s	[491.09; 837.70]	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			-1.65989e+01
Coefficient B			4.33942e+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.			491.09
Temperature range, max.			837.70
η	0.0004253	Pa×s	491.09	Calculated Property
η	0.0002237	Pa×s	529.60	Calculated Property
η	0.0001284	Pa×s	568.11	Calculated Property
η	0.0000790	Pa×s	606.63	Calculated Property
η	0.0000516	Pa×s	645.14	Calculated Property
η	0.0000353	Pa×s	683.65	Calculated Property
η	0.0000252	Pa×s	722.16	Calculated Property
η	0.0000186	Pa×s	760.68	Calculated Property
η	0.0000141	Pa×s	799.19	Calculated Property
η	0.0000110	Pa×s	837.70	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tetradecyl 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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