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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5852		Relay (1.0) Calculated Property
ΔfG°	-1262.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-1602.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.95	kJ/mol	Joback Calculated Property
ΔvapH°	63.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) 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	484.56	K	Relay (1.0) Calculated Property
Tc	688.85	K	Relay (1.0) Calculated Property
Tfus	310.41	K	Relay (1.0) Calculated Property
Vc	0.617	m3/kmol	Relay (1.0) 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

• 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.