Chemical Properties of Glutaric acid, isobutyl 3-methylbenzyl ester

InChI

InChI=1S/C17H24O4/c1-13(2)11-20-16(18)8-5-9-17(19)21-12-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3

InChI Key

NYGBHXPKLNHSIA-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

Cc1cccc(COC(=O)CCCC(=O)OCC(C)C)c1

Molecular Weight¹

292.37

• 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).
• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[343.77; 791.56]	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			1.69650e+01
Coefficient B			1.37676e+00
Coefficient C			-6.79160e-04
Coefficient D			7.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.77	J/mol×K	273.00	Calculated Property
Cp,gas	422.44	J/mol×K	353.78	Calculated Property
Cp,gas	493.31	J/mol×K	434.56	Calculated Property
Cp,gas	556.63	J/mol×K	515.33	Calculated Property
Cp,gas	612.64	J/mol×K	596.11	Calculated Property
Cp,gas	661.58	J/mol×K	676.89	Calculated Property
Cp,gas	703.70	J/mol×K	757.67	Calculated Property
Cp,gas	739.24	J/mol×K	838.44	Calculated Property
Cp,gas	768.45	J/mol×K	919.22	Calculated Property
Cp,gas	791.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015744; 0.0000948]	Pa×s	[389.95; 654.56]	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			-1.34050e+01
Coefficient B			2.71058e+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.			389.95
Temperature range, max.			654.56
η	0.0015744	Pa×s	389.95	Calculated Property
η	0.0009671	Pa×s	419.35	Calculated Property
η	0.0006332	Pa×s	448.75	Calculated Property
η	0.0004368	Pa×s	478.15	Calculated Property
η	0.0003145	Pa×s	507.56	Calculated Property
η	0.0002348	Pa×s	536.96	Calculated Property
η	0.0001806	Pa×s	566.36	Calculated Property
η	0.0001426	Pa×s	595.76	Calculated Property
η	0.0001152	Pa×s	625.16	Calculated Property
η	0.0000948	Pa×s	654.56	Calculated Property

Similar Compounds

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

Sources

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

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