Chemical Properties of Glutaric acid, 3,3-dimethylbut-2-yl dodecyl ester

InChI

InChI=1S/C23H44O4/c1-6-7-8-9-10-11-12-13-14-15-19-26-21(24)17-16-18-22(25)27-20(2)23(3,4)5/h20H,6-19H2,1-5H3

InChI Key

PGZPKCXIWRERFX-UHFFFAOYSA-N

Formula

C23H44O4

SMILES

CCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

384.60

• 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	[524.30; 1224.14]	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			6.64400e+00
Coefficient B			2.21100e+00
Coefficient C			-1.21320e-03
Coefficient D			2.19700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	524.30	J/mol×K	273.00	Calculated Property
Cp,gas	646.73	J/mol×K	353.78	Calculated Property
Cp,gas	756.38	J/mol×K	434.56	Calculated Property
Cp,gas	853.93	J/mol×K	515.33	Calculated Property
Cp,gas	940.08	J/mol×K	596.11	Calculated Property
Cp,gas	1015.52	J/mol×K	676.89	Calculated Property
Cp,gas	1080.95	J/mol×K	757.67	Calculated Property
Cp,gas	1137.07	J/mol×K	838.44	Calculated Property
Cp,gas	1184.57	J/mol×K	919.22	Calculated Property
Cp,gas	1224.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012612; 0.0000388]	Pa×s	[421.05; 719.38]	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			-1.50688e+01
Coefficient B			3.53392e+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.			421.05
Temperature range, max.			719.38
η	0.0012612	Pa×s	421.05	Calculated Property
η	0.0006835	Pa×s	454.20	Calculated Property
η	0.0004027	Pa×s	487.35	Calculated Property
η	0.0002537	Pa×s	520.49	Calculated Property
η	0.0001690	Pa×s	553.64	Calculated Property
η	0.0001178	Pa×s	586.79	Calculated Property
η	0.0000854	Pa×s	619.94	Calculated Property
η	0.0000639	Pa×s	653.09	Calculated Property
η	0.0000492	Pa×s	686.23	Calculated Property
η	0.0000388	Pa×s	719.38	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,3-dimethylbut-2-yl dodecyl ester.

Sources

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

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