Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzoic acid, cyclohexyl ester

InChI

InChI=1S/C14H15F3O3/c1-19-13-11(16)9(7-10(15)12(13)17)14(18)20-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

InChI Key

WAYLDBHJMAOIIS-UHFFFAOYSA-N

Formula

C14H15F3O3

SMILES

COc1c(F)c(F)cc(C(=O)OC2CCCCC2)c1F

Molecular Weight¹

288.26

• 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	0.6610		Relay (... Calculated Property
ΔfG°	-758.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.55	kJ/mol	Joback Calculated Property
ΔvapH°	80.23	kJ/mol	Relay (... Calculated Property
IE	8.94	eV	Relay (... Calculated Property
log10WS	-4.95		Relay (... Calculated Property
logPoct/wat	3.602		Crippen Calculated Property
McVol	192.120	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	572.85	K	Relay (... Calculated Property
Tc	795.90	K	Relay (... Calculated Property
Tfus	306.64	K	Relay (... Calculated Property
Vc	0.716	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.29; 615.06]	J/mol×K	[682.39; 888.88]
Cp,gas	535.29	J/mol×K	682.39	Joback Calculated Property
Cp,gas	551.05	J/mol×K	716.80	Joback Calculated Property
Cp,gas	565.82	J/mol×K	751.22	Joback Calculated Property
Cp,gas	579.61	J/mol×K	785.63	Joback Calculated Property
Cp,gas	592.42	J/mol×K	820.05	Joback Calculated Property
Cp,gas	604.23	J/mol×K	854.46	Joback Calculated Property
Cp,gas	615.06	J/mol×K	888.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzoic acid, cyclohexyl ester.

Sources

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

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