Chemical Properties of Adipic acid, 3,3-dimethylbut-2-yl eicosyl ester

InChI

InChI=1S/C32H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28-35-30(33)26-23-24-27-31(34)36-29(2)32(3,4)5/h29H,6-28H2,1-5H3

InChI Key

JHRRSNSZJRVYCY-UHFFFAOYSA-N

Formula

C32H62O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OC(C)C(C)(C)C

Molecular Weight¹

510.84

• 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	[715.22; 1688.46]	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			-1.53700e+00
Coefficient B			3.06600e+00
Coefficient C			-1.70280e-03
Coefficient D			3.26800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	715.22	J/mol×K	273.00	Calculated Property
Cp,gas	884.50	J/mol×K	353.78	Calculated Property
Cp,gas	1036.07	J/mol×K	434.56	Calculated Property
Cp,gas	1170.99	J/mol×K	515.33	Calculated Property
Cp,gas	1290.28	J/mol×K	596.11	Calculated Property
Cp,gas	1394.97	J/mol×K	676.89	Calculated Property
Cp,gas	1486.10	J/mol×K	757.67	Calculated Property
Cp,gas	1564.71	J/mol×K	838.44	Calculated Property
Cp,gas	1631.81	J/mol×K	919.22	Calculated Property
Cp,gas	1688.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002773; 0.0000075]	Pa×s	[522.48; 917.82]	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			-1.65759e+01
Coefficient B			4.38136e+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.			522.48
Temperature range, max.			917.82
η	0.0002773	Pa×s	522.48	Calculated Property
η	0.0001447	Pa×s	566.41	Calculated Property
η	0.0000829	Pa×s	610.33	Calculated Property
η	0.0000512	Pa×s	654.26	Calculated Property
η	0.0000336	Pa×s	698.18	Calculated Property
η	0.0000232	Pa×s	742.11	Calculated Property
η	0.0000167	Pa×s	786.04	Calculated Property
η	0.0000124	Pa×s	829.96	Calculated Property
η	0.0000095	Pa×s	873.89	Calculated Property
η	0.0000075	Pa×s	917.82	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl eicosyl ester.

Sources

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

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