Chemical Properties of Glutaric acid, 2,4-dimethylpent-3-yl heptadecyl ester

InChI

InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-32-27(30)22-21-23-28(31)33-29(25(2)3)26(4)5/h25-26,29H,6-24H2,1-5H3

InChI Key

LFWJAJOUXMVHKN-UHFFFAOYSA-N

Formula

C29H56O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C(C)C)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).
• 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	[652.41; 1533.30]	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			2.22990e+01
Coefficient B			2.66700e+00
Coefficient C			-1.37420e-03
Coefficient D			2.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	652.41	J/mol×K	273.00	Calculated Property
Cp,gas	803.49	J/mol×K	353.78	Calculated Property
Cp,gas	939.66	J/mol×K	434.56	Calculated Property
Cp,gas	1061.61	J/mol×K	515.33	Calculated Property
Cp,gas	1170.03	J/mol×K	596.11	Calculated Property
Cp,gas	1265.60	J/mol×K	676.89	Calculated Property
Cp,gas	1349.03	J/mol×K	757.67	Calculated Property
Cp,gas	1420.99	J/mol×K	838.44	Calculated Property
Cp,gas	1482.19	J/mol×K	919.22	Calculated Property
Cp,gas	1533.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007644; 0.0000143]	Pa×s	[456.25; 847.22]	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			-1.57989e+01
Coefficient B			3.93398e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			456.25
Temperature range, max.			847.22
η	0.0007644	Pa×s	456.25	Calculated Property
η	0.0003612	Pa×s	499.69	Calculated Property
η	0.0001924	Pa×s	543.13	Calculated Property
η	0.0001125	Pa×s	586.57	Calculated Property
η	0.0000709	Pa×s	630.02	Calculated Property
η	0.0000474	Pa×s	673.46	Calculated Property
η	0.0000333	Pa×s	716.90	Calculated Property
η	0.0000243	Pa×s	760.34	Calculated Property
η	0.0000184	Pa×s	803.78	Calculated Property
η	0.0000143	Pa×s	847.22	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,4-dimethylpent-3-yl heptadecyl ester.

Sources

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

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