Chemical Properties of 4-Fluoro-2-trifluoromethylbenzoic acid, cyclohexyl ester

InChI

InChI=1S/C14H14F4O2/c15-9-6-7-11(12(8-9)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2

InChI Key

ISLMEHIVBBOGFB-UHFFFAOYSA-N

Formula

C14H14F4O2

SMILES

O=C(OC1CCCCC1)c1ccc(F)cc1C(F)(F)F

Molecular Weight¹

290.25

• 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	0.5934		Relay (1.0) Calculated Property
ΔfG°	-825.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1199.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.81	kJ/mol	Joback Calculated Property
ΔvapH°	73.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	4.334		Crippen Calculated Property
McVol	188.020	ml/mol	McGowan Calculated Property
Pc	2121.68	kPa	Joback Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST
Tboil	559.55	K	Relay (1.0) Calculated Property
Tc	774.18	K	Relay (1.0) Calculated Property
Tfus	284.16	K	Relay (1.0) Calculated Property
Vc	0.695	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.97; 602.34]	J/mol×K	[646.05; 854.74]
Cp,gas	519.97	J/mol×K	646.05	Joback Calculated Property
Cp,gas	536.42	J/mol×K	680.83	Joback Calculated Property
Cp,gas	551.73	J/mol×K	715.61	Joback Calculated Property
Cp,gas	565.93	J/mol×K	750.39	Joback Calculated Property
Cp,gas	579.07	J/mol×K	785.17	Joback Calculated Property
Cp,gas	591.19	J/mol×K	819.96	Joback Calculated Property
Cp,gas	602.34	J/mol×K	854.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzoic acid, cyclohexyl ester.

Sources

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

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