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

InChI

InChI=1S/C28H54O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-31-25(29)28(9-2,10-3)26(30)32-23-24(4)22-27(5,6)7/h24H,8-23H2,1-7H3

InChI Key

PQCWMFLUCYBXFQ-UHFFFAOYSA-N

Formula

C28H54O4

SMILES

CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

454.74

• 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	[628.91; 1483.57]	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			-2.23740e+01
Coefficient B			2.81184e+00
Coefficient C			-1.65700e-03
Coefficient D			3.51100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	628.91	J/mol×K	273.00	Calculated Property
Cp,gas	780.55	J/mol×K	353.78	Calculated Property
Cp,gas	915.43	J/mol×K	434.56	Calculated Property
Cp,gas	1034.66	J/mol×K	515.33	Calculated Property
Cp,gas	1139.36	J/mol×K	596.11	Calculated Property
Cp,gas	1230.62	J/mol×K	676.89	Calculated Property
Cp,gas	1309.56	J/mol×K	757.67	Calculated Property
Cp,gas	1377.29	J/mol×K	838.44	Calculated Property
Cp,gas	1434.92	J/mol×K	919.22	Calculated Property
Cp,gas	1483.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005092; 0.0000133]	Pa×s	[479.82; 815.95]	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			-1.64303e+01
Coefficient B			4.24526e+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.			479.82
Temperature range, max.			815.95
η	0.0005092	Pa×s	479.82	Calculated Property
η	0.0002688	Pa×s	517.17	Calculated Property
η	0.0001546	Pa×s	554.51	Calculated Property
η	0.0000954	Pa×s	591.86	Calculated Property
η	0.0000623	Pa×s	629.21	Calculated Property
η	0.0000427	Pa×s	666.56	Calculated Property
η	0.0000305	Pa×s	703.90	Calculated Property
η	0.0000225	Pa×s	741.25	Calculated Property
η	0.0000171	Pa×s	778.60	Calculated Property
η	0.0000133	Pa×s	815.95	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tridecyl 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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