Chemical Properties of 5-Fluoro-2-trifluoromethylbenzoic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C15H10F4O3/c1-21-10-3-5-11(6-4-10)22-14(20)12-8-9(16)2-7-13(12)15(17,18)19/h2-8H,1H3

InChI Key

XXOITGAEISJHDZ-UHFFFAOYSA-N

Formula

C15H10F4O3

SMILES

COc1ccc(OC(=O)c2cc(F)ccc2C(F)(F)F)cc1

Molecular Weight¹

314.23

• 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°	-843.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1084.49	kJ/mol	Joback Calculated Property
ΔfusH°	30.40	kJ/mol	Joback Calculated Property
ΔvapH°	62.52	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.072		Crippen Calculated Property
McVol	195.080	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	703.46	K	Joback Calculated Property
Tc	913.82	K	Joback Calculated Property
Tfus	448.38	K	Joback Calculated Property
Vc	0.762	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.99; 586.02]	J/mol×K	[703.46; 913.82]
Cp,gas	523.99	J/mol×K	703.46	Joback Calculated Property
Cp,gas	536.60	J/mol×K	738.52	Joback Calculated Property
Cp,gas	548.25	J/mol×K	773.58	Joback Calculated Property
Cp,gas	558.99	J/mol×K	808.64	Joback Calculated Property
Cp,gas	568.85	J/mol×K	843.70	Joback Calculated Property
Cp,gas	577.85	J/mol×K	878.76	Joback Calculated Property
Cp,gas	586.02	J/mol×K	913.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-2-trifluoromethylbenzoic acid, 4-methoxyphenyl ester.

Sources

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

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