Chemical Properties of Glutaric acid, hexyl 2-(trifluoromethyl)benzyl ester

InChI

InChI=1S/C19H25F3O4/c1-2-3-4-7-13-25-17(23)11-8-12-18(24)26-14-15-9-5-6-10-16(15)19(20,21)22/h5-6,9-10H,2-4,7-8,11-14H2,1H3

InChI Key

ONHKNNMANFMARF-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCCCCOC(=O)CCCC(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

374.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[409.65; 916.89]	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			1.06290e+01
Coefficient B			1.72202e+00
Coefficient C			-1.00576e-03
Coefficient D			1.90000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	409.65	J/mol×K	273.00	Calculated Property
Cp,gas	502.37	J/mol×K	353.78	Calculated Property
Cp,gas	584.61	J/mol×K	434.56	Calculated Property
Cp,gas	656.95	J/mol×K	515.33	Calculated Property
Cp,gas	720.00	J/mol×K	596.11	Calculated Property
Cp,gas	774.35	J/mol×K	676.89	Calculated Property
Cp,gas	820.62	J/mol×K	757.67	Calculated Property
Cp,gas	859.40	J/mol×K	838.44	Calculated Property
Cp,gas	891.29	J/mol×K	919.22	Calculated Property
Cp,gas	916.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl 2-(trifluoromethyl)benzyl ester.

Sources

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

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