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

InChI

InChI=1S/C15H11F3O4/c1-20-8-3-5-9(6-4-8)22-15(19)10-7-11(16)13(18)14(21-2)12(10)17/h3-7H,1-2H3

InChI Key

XUOVIFLADDYXCT-UHFFFAOYSA-N

Formula

C15H11F3O4

SMILES

COc1ccc(OC(=O)c2cc(F)c(F)c(OC)c2F)cc1

Molecular Weight¹

312.24

• 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	0.7839		Relay (... Calculated Property
ΔfG°	-776.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-936.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.15	kJ/mol	Joback Calculated Property
ΔvapH°	89.31	kJ/mol	Relay (... Calculated Property
IE	8.11	eV	Relay (... Calculated Property
log10WS	-5.07		Relay (... Calculated Property
logPoct/wat	3.340		Crippen Calculated Property
McVol	199.180	ml/mol	McGowan Calculated Property
Pc	2077.43	kPa	Joback Calculated Property
Inp	[2185.00; 2185.00]
Inp	2185.00		NIST
Inp	2185.00		NIST
Tboil	608.38	K	Relay (... Calculated Property
Tc	850.72	K	Relay (... Calculated Property
Tfus	355.63	K	Relay (... Calculated Property
Vc	0.740	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[536.35; 596.86]	J/mol×K	[739.80; 948.30]
Cp,gas	536.35	J/mol×K	739.80	Joback Calculated Property
Cp,gas	548.68	J/mol×K	774.55	Joback Calculated Property
Cp,gas	560.13	J/mol×K	809.30	Joback Calculated Property
Cp,gas	570.69	J/mol×K	844.05	Joback Calculated Property
Cp,gas	580.34	J/mol×K	878.80	Joback Calculated Property
Cp,gas	589.07	J/mol×K	913.55	Joback Calculated Property
Cp,gas	596.86	J/mol×K	948.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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