Chemical Properties of Adipic acid, 2,4-dimethylpent-3-yl undecyl ester

InChI

InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-16-19-27-22(25)17-14-15-18-23(26)28-24(20(2)3)21(4)5/h20-21,24H,6-19H2,1-5H3

InChI Key

NJSCUUSXAJQHNS-UHFFFAOYSA-N

Formula

C24H46O4

SMILES

CCCCCCCCCCCOC(=O)CCCCC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

398.62

• 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	[546.34; 1275.34]	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			2.68440e+01
Coefficient B			2.19200e+00
Coefficient C			-1.10220e-03
Coefficient D			1.58700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	546.34	J/mol×K	273.00	Calculated Property
Cp,gas	671.40	J/mol×K	353.78	Calculated Property
Cp,gas	784.28	J/mol×K	434.56	Calculated Property
Cp,gas	885.46	J/mol×K	515.33	Calculated Property
Cp,gas	975.47	J/mol×K	596.11	Calculated Property
Cp,gas	1054.80	J/mol×K	676.89	Calculated Property
Cp,gas	1123.95	J/mol×K	757.67	Calculated Property
Cp,gas	1183.42	J/mol×K	838.44	Calculated Property
Cp,gas	1233.72	J/mol×K	919.22	Calculated Property
Cp,gas	1275.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018256; 0.0000340]	Pa×s	[399.90; 740.31]	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			-1.49660e+01
Coefficient B			3.46318e+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.			399.90
Temperature range, max.			740.31
η	0.0018256	Pa×s	399.90	Calculated Property
η	0.0008638	Pa×s	437.72	Calculated Property
η	0.0004604	Pa×s	475.55	Calculated Property
η	0.0002692	Pa×s	513.37	Calculated Property
η	0.0001695	Pa×s	551.19	Calculated Property
η	0.0001132	Pa×s	589.02	Calculated Property
η	0.0000794	Pa×s	626.84	Calculated Property
η	0.0000580	Pa×s	664.66	Calculated Property
η	0.0000438	Pa×s	702.49	Calculated Property
η	0.0000340	Pa×s	740.31	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,4-dimethylpent-3-yl undecyl ester.

Sources

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

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