Chemical Properties of 3-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester

InChI

InChI=1S/C14H7F5O2/c15-10-5-11(16)7-12(6-10)21-13(20)8-2-1-3-9(4-8)14(17,18)19/h1-7H

InChI Key

NVEYKSOKOGWRDM-UHFFFAOYSA-N

Formula

C14H7F5O2

SMILES

O=C(Oc1cc(F)cc(F)c1)c1cccc(C(F)(F)F)c1

Molecular Weight¹

302.20

• 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°	-942.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.74	kJ/mol	Joback Calculated Property
ΔfusH°	29.70	kJ/mol	Joback Calculated Property
ΔvapH°	57.07	kJ/mol	Joback Calculated Property
log10WS	-5.33		Crippen Calculated Property
logPoct/wat	4.203		Crippen Calculated Property
McVol	176.890	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1530.00; 1530.00]
Inp	1530.00		NIST
Inp	1530.00		NIST
Tboil	657.43	K	Joback Calculated Property
Tc	864.10	K	Joback Calculated Property
Tfus	415.47	K	Joback Calculated Property
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.51; 515.17]	J/mol×K	[657.43; 864.10]
Cp,gas	456.51	J/mol×K	657.43	Joback Calculated Property
Cp,gas	468.38	J/mol×K	691.87	Joback Calculated Property
Cp,gas	479.35	J/mol×K	726.32	Joback Calculated Property
Cp,gas	489.48	J/mol×K	760.76	Joback Calculated Property
Cp,gas	498.79	J/mol×K	795.21	Joback Calculated Property
Cp,gas	507.35	J/mol×K	829.65	Joback Calculated Property
Cp,gas	515.17	J/mol×K	864.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester.

Sources

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

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