Chemical Properties of Glutaric acid, isobutyl 1-phenyl-2-(3-cyclohexenyl)ethyl ester

InChI

InChI=1S/C23H32O4/c1-18(2)17-26-22(24)14-9-15-23(25)27-21(20-12-7-4-8-13-20)16-19-10-5-3-6-11-19/h4-5,7-8,10,12-13,18-19,21H,3,6,9,11,14-17H2,1-2H3

InChI Key

TYLDYBBSLXTVSJ-UHFFFAOYSA-N

Formula

C23H32O4

SMILES

CC(C)COC(=O)CCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

372.50

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[423.59; 1058.47]	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			-6.22950e+01
Coefficient B			2.07824e+00
Coefficient C			-1.14408e-03
Coefficient D			1.86600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.59	J/mol×K	273.00	Calculated Property
Cp,gas	538.01	J/mol×K	353.78	Calculated Property
Cp,gas	640.08	J/mol×K	434.56	Calculated Property
Cp,gas	730.40	J/mol×K	515.33	Calculated Property
Cp,gas	809.55	J/mol×K	596.11	Calculated Property
Cp,gas	878.12	J/mol×K	676.89	Calculated Property
Cp,gas	936.71	J/mol×K	757.67	Calculated Property
Cp,gas	985.90	J/mol×K	838.44	Calculated Property
Cp,gas	1026.29	J/mol×K	919.22	Calculated Property
Cp,gas	1058.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012630; 0.0000442]	Pa×s	[438.19; 772.91]	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			-1.44177e+01
Coefficient B			3.39313e+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.			438.19
Temperature range, max.			772.91
η	0.0012630	Pa×s	438.19	Calculated Property
η	0.0006892	Pa×s	475.38	Calculated Property
η	0.0004106	Pa×s	512.57	Calculated Property
η	0.0002624	Pa×s	549.76	Calculated Property
η	0.0001774	Pa×s	586.95	Calculated Property
η	0.0001257	Pa×s	624.14	Calculated Property
η	0.0000926	Pa×s	661.33	Calculated Property
η	0.0000705	Pa×s	698.53	Calculated Property
η	0.0000551	Pa×s	735.72	Calculated Property
η	0.0000442	Pa×s	772.91	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 1-phenyl-2-(3-cyclohexenyl)ethyl 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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