Chemical Properties of Adipic acid, nonyl 3-phenoxybenzyl ester

InChI

InChI=1S/C28H38O5/c1-2-3-4-5-6-7-13-21-31-27(29)19-11-12-20-28(30)32-23-24-15-14-18-26(22-24)33-25-16-9-8-10-17-25/h8-10,14-18,22H,2-7,11-13,19-21,23H2,1H3

InChI Key

AZYCDCHUNOSEEU-UHFFFAOYSA-N

Formula

C28H38O5

SMILES

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

Molecular Weight¹

454.60

• 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).
• 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	[535.58; 1258.50]	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			2.43000e-01
Coefficient B			2.27372e+00
Coefficient C			-1.19456e-03
Coefficient D			1.79100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	535.58	J/mol×K	273.00	Calculated Property
Cp,gas	663.06	J/mol×K	353.78	Calculated Property
Cp,gas	777.42	J/mol×K	434.56	Calculated Property
Cp,gas	879.24	J/mol×K	515.33	Calculated Property
Cp,gas	969.09	J/mol×K	596.11	Calculated Property
Cp,gas	1047.52	J/mol×K	676.89	Calculated Property
Cp,gas	1115.12	J/mol×K	757.67	Calculated Property
Cp,gas	1172.43	J/mol×K	838.44	Calculated Property
Cp,gas	1220.04	J/mol×K	919.22	Calculated Property
Cp,gas	1258.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001844; 0.0000177]	Pa×s	[577.57; 889.14]	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			-1.52886e+01
Coefficient B			3.86403e+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.			577.57
Temperature range, max.			889.14
η	0.0001844	Pa×s	577.57	Calculated Property
η	0.0001263	Pa×s	612.19	Calculated Property
η	0.0000901	Pa×s	646.81	Calculated Property
η	0.0000665	Pa×s	681.43	Calculated Property
η	0.0000506	Pa×s	716.04	Calculated Property
η	0.0000394	Pa×s	750.66	Calculated Property
η	0.0000314	Pa×s	785.28	Calculated Property
η	0.0000255	Pa×s	819.90	Calculated Property
η	0.0000211	Pa×s	854.52	Calculated Property
η	0.0000177	Pa×s	889.14	Calculated Property

Similar Compounds

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

Sources

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

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