Chemical Properties of Glutaric acid, 3-phenoxybenzyl undecyl ester

InChI

InChI=1S/C29H40O5/c1-2-3-4-5-6-7-8-9-13-22-32-28(30)20-15-21-29(31)33-24-25-16-14-19-27(23-25)34-26-17-11-10-12-18-26/h10-12,14,16-19,23H,2-9,13,15,20-22,24H2,1H3

InChI Key

IVPKIHSQINMMEI-UHFFFAOYSA-N

Formula

C29H40O5

SMILES

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

Molecular Weight¹

468.62

• 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).
• 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	[556.80; 1310.09]	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			-6.66000e-01
Coefficient B			2.36872e+00
Coefficient C			-1.24896e-03
Coefficient D			1.91000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	556.80	J/mol×K	273.00	Calculated Property
Cp,gas	689.47	J/mol×K	353.78	Calculated Property
Cp,gas	808.50	J/mol×K	434.56	Calculated Property
Cp,gas	914.47	J/mol×K	515.33	Calculated Property
Cp,gas	1008.00	J/mol×K	596.11	Calculated Property
Cp,gas	1089.68	J/mol×K	676.89	Calculated Property
Cp,gas	1160.13	J/mol×K	757.67	Calculated Property
Cp,gas	1219.95	J/mol×K	838.44	Calculated Property
Cp,gas	1269.73	J/mol×K	919.22	Calculated Property
Cp,gas	1310.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001608; 0.0000150]	Pa×s	[588.84; 909.44]	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			-1.54572e+01
Coefficient B			3.95819e+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.			588.84
Temperature range, max.			909.44
η	0.0001608	Pa×s	588.84	Calculated Property
η	0.0001096	Pa×s	624.46	Calculated Property
η	0.0000779	Pa×s	660.08	Calculated Property
η	0.0000573	Pa×s	695.71	Calculated Property
η	0.0000434	Pa×s	731.33	Calculated Property
η	0.0000338	Pa×s	766.95	Calculated Property
η	0.0000268	Pa×s	802.57	Calculated Property
η	0.0000218	Pa×s	838.19	Calculated Property
η	0.0000180	Pa×s	873.82	Calculated Property
η	0.0000150	Pa×s	909.44	Calculated Property

Similar Compounds

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

Sources

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

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