Chemical Properties of Glutaric acid, isobutyl 3-phenoxybenzyl ester

InChI

InChI=1S/C22H26O5/c1-17(2)15-25-21(23)12-7-13-22(24)26-16-18-8-6-11-20(14-18)27-19-9-4-3-5-10-19/h3-6,8-11,14,17H,7,12-13,15-16H2,1-2H3

InChI Key

DTGOAXVCWRTXFL-UHFFFAOYSA-N

Formula

C22H26O5

SMILES

CC(C)COC(=O)CCCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

370.44

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[407.99; 949.50]	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			4.01500e+00
Coefficient B			1.70964e+00
Coefficient C			-8.71360e-04
Coefficient D			1.07200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.99	J/mol×K	273.00	Calculated Property
Cp,gas	504.54	J/mol×K	353.78	Calculated Property
Cp,gas	591.20	J/mol×K	434.56	Calculated Property
Cp,gas	668.31	J/mol×K	515.33	Calculated Property
Cp,gas	736.22	J/mol×K	596.11	Calculated Property
Cp,gas	795.26	J/mol×K	676.89	Calculated Property
Cp,gas	845.77	J/mol×K	757.67	Calculated Property
Cp,gas	888.08	J/mol×K	838.44	Calculated Property
Cp,gas	922.55	J/mol×K	919.22	Calculated Property
Cp,gas	949.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004567; 0.0000381]	Pa×s	[494.95; 783.46]	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			-1.44333e+01
Coefficient B			3.33689e+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.			494.95
Temperature range, max.			783.46
η	0.0004567	Pa×s	494.95	Calculated Property
η	0.0003031	Pa×s	527.01	Calculated Property
η	0.0002108	Pa×s	559.06	Calculated Property
η	0.0001525	Pa×s	591.12	Calculated Property
η	0.0001141	Pa×s	623.18	Calculated Property
η	0.0000878	Pa×s	655.23	Calculated Property
η	0.0000692	Pa×s	687.29	Calculated Property
η	0.0000558	Pa×s	719.34	Calculated Property
η	0.0000457	Pa×s	751.40	Calculated Property
η	0.0000381	Pa×s	783.46	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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