Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, ethyl ester

InChI

InChI=1S/C11H8F6O2/c1-2-19-9(18)7-5-6(10(12,13)14)3-4-8(7)11(15,16)17/h3-5H,2H2,1H3

InChI Key

CXPOENCKRJUREO-UHFFFAOYSA-N

Formula

C11H8F6O2

SMILES

CCOC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

286.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1262.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1495.74	kJ/mol	Joback Calculated Property
ΔfusH°	23.95	kJ/mol	Joback Calculated Property
ΔvapH°	45.34	kJ/mol	Joback Calculated Property
log10WS	-4.34		Crippen Calculated Property
logPoct/wat	3.901		Crippen Calculated Property
McVol	160.150	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[1115.00; 1115.00]
Inp	1115.00		NIST
Inp	1115.00		NIST
Tboil	553.17	K	Joback Calculated Property
Tc	732.00	K	Joback Calculated Property
Tfus	345.73	K	Joback Calculated Property
Vc	0.653	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.10; 462.01]	J/mol×K	[553.17; 732.00]
Cp,gas	402.10	J/mol×K	553.17	Joback Calculated Property
Cp,gas	413.83	J/mol×K	582.97	Joback Calculated Property
Cp,gas	424.82	J/mol×K	612.78	Joback Calculated Property
Cp,gas	435.10	J/mol×K	642.58	Joback Calculated Property
Cp,gas	444.71	J/mol×K	672.39	Joback Calculated Property
Cp,gas	453.67	J/mol×K	702.19	Joback Calculated Property
Cp,gas	462.01	J/mol×K	732.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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