Chemical Properties of Adipic acid, 3-phenoxybenzyl undecyl ester

InChI

InChI=1S/C30H42O5/c1-2-3-4-5-6-7-8-9-15-23-33-29(31)21-13-14-22-30(32)34-25-26-17-16-20-28(24-26)35-27-18-11-10-12-19-27/h10-12,16-20,24H,2-9,13-15,21-23,25H2,1H3

InChI Key

CHBDBNIQKDSFFF-UHFFFAOYSA-N

Formula

C30H42O5

SMILES

CCCCCCCCCCCOC(=O)CCCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

482.66

• 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).
• IE : Ionization energy (eV).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[578.01; 1361.68]	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			-1.57500e+00
Coefficient B			2.46372e+00
Coefficient C			-1.30336e-03
Coefficient D			2.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	578.01	J/mol×K	273.00	Calculated Property
Cp,gas	715.89	J/mol×K	353.78	Calculated Property
Cp,gas	839.57	J/mol×K	434.56	Calculated Property
Cp,gas	949.70	J/mol×K	515.33	Calculated Property
Cp,gas	1046.91	J/mol×K	596.11	Calculated Property
Cp,gas	1131.84	J/mol×K	676.89	Calculated Property
Cp,gas	1205.15	J/mol×K	757.67	Calculated Property
Cp,gas	1267.46	J/mol×K	838.44	Calculated Property
Cp,gas	1319.43	J/mol×K	919.22	Calculated Property
Cp,gas	1361.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001400; 0.0000127]	Pa×s	[600.11; 930.59]	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			-1.56267e+01
Coefficient B			4.05235e+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.			600.11
Temperature range, max.			930.59
η	0.0001400	Pa×s	600.11	Calculated Property
η	0.0000948	Pa×s	636.83	Calculated Property
η	0.0000670	Pa×s	673.55	Calculated Property
η	0.0000491	Pa×s	710.27	Calculated Property
η	0.0000371	Pa×s	746.99	Calculated Property
η	0.0000288	Pa×s	783.71	Calculated Property
η	0.0000228	Pa×s	820.43	Calculated Property
η	0.0000185	Pa×s	857.15	Calculated Property
η	0.0000152	Pa×s	893.87	Calculated Property
η	0.0000127	Pa×s	930.59	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 3-phenoxybenzyl undecyl ester.

Sources

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

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