Chemical Properties of Glutaric acid, 2-isopropoxyphenyl undecyl ester

InChI

InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)30-23-17-13-12-16-22(23)29-21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3

InChI Key

TVZBZWSMACPRDT-UHFFFAOYSA-N

Formula

C25H40O5

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

420.58

• 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	[528.88; 1222.79]	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			3.51930e+01
Coefficient B			2.07356e+00
Coefficient C			-1.00336e-03
Coefficient D			1.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	528.88	J/mol×K	273.00	Calculated Property
Cp,gas	648.39	J/mol×K	353.78	Calculated Property
Cp,gas	756.43	J/mol×K	434.56	Calculated Property
Cp,gas	853.37	J/mol×K	515.33	Calculated Property
Cp,gas	939.59	J/mol×K	596.11	Calculated Property
Cp,gas	1015.45	J/mol×K	676.89	Calculated Property
Cp,gas	1081.34	J/mol×K	757.67	Calculated Property
Cp,gas	1137.60	J/mol×K	838.44	Calculated Property
Cp,gas	1184.63	J/mol×K	919.22	Calculated Property
Cp,gas	1222.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003779; 0.0000255]	Pa×s	[502.34; 807.03]	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			-1.50193e+01
Coefficient B			3.58595e+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.			502.34
Temperature range, max.			807.03
η	0.0003779	Pa×s	502.34	Calculated Property
η	0.0002408	Pa×s	536.19	Calculated Property
η	0.0001619	Pa×s	570.05	Calculated Property
η	0.0001138	Pa×s	603.90	Calculated Property
η	0.0000830	Pa×s	637.76	Calculated Property
η	0.0000625	Pa×s	671.61	Calculated Property
η	0.0000484	Pa×s	705.47	Calculated Property
η	0.0000383	Pa×s	739.32	Calculated Property
η	0.0000310	Pa×s	773.18	Calculated Property
η	0.0000255	Pa×s	807.03	Calculated Property

Similar Compounds

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

Sources

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

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