Chemical Properties of Glutaric acid, 2-isopropoxyphenyl octyl ester

InChI

InChI=1S/C22H34O5/c1-4-5-6-7-8-11-17-25-21(23)15-12-16-22(24)27-20-14-10-9-13-19(20)26-18(2)3/h9-10,13-14,18H,4-8,11-12,15-17H2,1-3H3

InChI Key

RPQMCFVQIYZRRZ-UHFFFAOYSA-N

Formula

C22H34O5

SMILES

CCCCCCCCOC(=O)CCCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

378.51

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[465.24; 1068.02]	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			3.79200e+01
Coefficient B			1.78856e+00
Coefficient C			-8.40160e-04
Coefficient D			8.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	465.24	J/mol×K	273.00	Calculated Property
Cp,gas	569.14	J/mol×K	353.78	Calculated Property
Cp,gas	663.20	J/mol×K	434.56	Calculated Property
Cp,gas	747.69	J/mol×K	515.33	Calculated Property
Cp,gas	822.86	J/mol×K	596.11	Calculated Property
Cp,gas	888.97	J/mol×K	676.89	Calculated Property
Cp,gas	946.29	J/mol×K	757.67	Calculated Property
Cp,gas	995.06	J/mol×K	838.44	Calculated Property
Cp,gas	1035.55	J/mol×K	919.22	Calculated Property
Cp,gas	1068.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005659; 0.0000398]	Pa×s	[468.53; 751.55]	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			-1.45278e+01
Coefficient B			3.30347e+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.			468.53
Temperature range, max.			751.55
η	0.0005659	Pa×s	468.53	Calculated Property
η	0.0003632	Pa×s	499.98	Calculated Property
η	0.0002457	Pa×s	531.42	Calculated Property
η	0.0001736	Pa×s	562.87	Calculated Property
η	0.0001273	Pa×s	594.32	Calculated Property
η	0.0000962	Pa×s	625.76	Calculated Property
η	0.0000748	Pa×s	657.21	Calculated Property
η	0.0000594	Pa×s	688.66	Calculated Property
η	0.0000482	Pa×s	720.10	Calculated Property
η	0.0000398	Pa×s	751.55	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-isopropoxyphenyl octyl ester.

Sources

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

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