Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester

InChI

InChI=1S/C15H7F7O2/c16-9-2-1-3-10(7-9)24-13(23)11-6-8(14(17,18)19)4-5-12(11)15(20,21)22/h1-7H

InChI Key

LWBRNIAJKIFWCD-UHFFFAOYSA-N

Formula

C15H7F7O2

SMILES

O=C(Oc1cccc(F)c1)c1cc(C(F)(F)F)ccc1C(F)(F)F

Molecular Weight¹

352.20

• 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	0.6879		Relay (... Calculated Property
ΔfG°	-1320.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1640.99	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.04	kJ/mol	Joback Calculated Property
ΔvapH°	79.77	kJ/mol	Relay (... Calculated Property
IE	9.20	eV	Relay (... Calculated Property
log10WS	-6.09		Relay (... Calculated Property
logPoct/wat	5.082		Crippen Calculated Property
McVol	194.520	ml/mol	McGowan Calculated Property
Pc	1937.24	kPa	Joback Calculated Property
Inp	[1528.00; 1528.00]
Inp	1528.00		NIST
Inp	1528.00		NIST
Tboil	560.11	K	Relay (... Calculated Property
Tc	809.34	K	Relay (... Calculated Property
Tfus	353.26	K	Relay (... Calculated Property
Vc	0.735	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.89; 583.12]	J/mol×K	[675.62; 873.27]
Cp,gas	525.89	J/mol×K	675.62	Joback Calculated Property
Cp,gas	537.54	J/mol×K	708.56	Joback Calculated Property
Cp,gas	548.27	J/mol×K	741.50	Joback Calculated Property
Cp,gas	558.13	J/mol×K	774.44	Joback Calculated Property
Cp,gas	567.19	J/mol×K	807.39	Joback Calculated Property
Cp,gas	575.50	J/mol×K	840.33	Joback Calculated Property
Cp,gas	583.12	J/mol×K	873.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-fluorophenyl ester.

Sources

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

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