Chemical Properties of Glutaric acid, ethyl 4-(trifluoromethoxy)benzyl ester

InChI

InChI=1S/C15H17F3O5/c1-2-21-13(19)4-3-5-14(20)22-10-11-6-8-12(9-7-11)23-15(16,17)18/h6-9H,2-5,10H2,1H3

InChI Key

UVUZVVVQXNVHIQ-UHFFFAOYSA-N

Formula

C15H17F3O5

SMILES

CCOC(=O)CCCC(=O)OCc1ccc(OC(F)(F)F)cc1

Molecular Weight¹

334.29

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1529.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	84.66	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.362		Crippen Calculated Property
McVol	224.510	ml/mol	McGowan Calculated Property
Pc	1645.76	kPa	Joback Calculated Property
Inp	[1881.00; 1881.00]
Inp	1881.00		NIST
Inp	1881.00		NIST
Tboil	581.71	K	Relay (1.0) Calculated Property
Tc	733.41	K	Relay (1.0) Calculated Property
Tfus	264.73	K	Relay (1.0) Calculated Property

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	[340.20; 729.02]	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			3.97650e+01
Coefficient B			1.27882e+00
Coefficient C			-6.77160e-04
Coefficient D			8.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.20	J/mol×K	273.00	Calculated Property
Cp,gas	411.31	J/mol×K	353.78	Calculated Property
Cp,gas	474.80	J/mol×K	434.56	Calculated Property
Cp,gas	530.94	J/mol×K	515.33	Calculated Property
Cp,gas	580.01	J/mol×K	596.11	Calculated Property
Cp,gas	622.29	J/mol×K	676.89	Calculated Property
Cp,gas	658.06	J/mol×K	757.67	Calculated Property
Cp,gas	687.58	J/mol×K	838.44	Calculated Property
Cp,gas	711.15	J/mol×K	919.22	Calculated Property
Cp,gas	729.03	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 4-(trifluoromethoxy)benzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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