Chemical Properties of Glutaric acid, isobutyl 2-methoxybenzyl ester

InChI

InChI=1S/C17H24O5/c1-13(2)11-21-16(18)9-6-10-17(19)22-12-14-7-4-5-8-15(14)20-3/h4-5,7-8,13H,6,9-12H2,1-3H3

InChI Key

LWRCCODEFLRXTH-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

COc1ccccc1COC(=O)CCCC(=O)OCC(C)C

Molecular Weight¹

308.37

• 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).
• 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_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 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	[359.17; 810.07]	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			4.24650e+01
Coefficient B			1.31356e+00
Coefficient C			-5.68160e-04
Coefficient D			2.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.17	J/mol×K	273.00	Calculated Property
Cp,gas	437.05	J/mol×K	353.78	Calculated Property
Cp,gas	507.81	J/mol×K	434.56	Calculated Property
Cp,gas	571.54	J/mol×K	515.33	Calculated Property
Cp,gas	628.30	J/mol×K	596.11	Calculated Property
Cp,gas	678.17	J/mol×K	676.89	Calculated Property
Cp,gas	721.20	J/mol×K	757.67	Calculated Property
Cp,gas	757.49	J/mol×K	838.44	Calculated Property
Cp,gas	787.08	J/mol×K	919.22	Calculated Property
Cp,gas	810.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010434; 0.0000742]	Pa×s	[412.18; 669.83]	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			-1.37377e+01
Coefficient B			2.83267e+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.			412.18
Temperature range, max.			669.83
η	0.0010434	Pa×s	412.18	Calculated Property
η	0.0006678	Pa×s	440.81	Calculated Property
η	0.0004513	Pa×s	469.44	Calculated Property
η	0.0003190	Pa×s	498.06	Calculated Property
η	0.0002342	Pa×s	526.69	Calculated Property
η	0.0001775	Pa×s	555.32	Calculated Property
η	0.0001382	Pa×s	583.95	Calculated Property
η	0.0001102	Pa×s	612.57	Calculated Property
η	0.0000896	Pa×s	641.20	Calculated Property
η	0.0000742	Pa×s	669.83	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 2-methoxybenzyl ester.

Sources

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

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