Chemical Properties of Benzoic acid, (4-(trifluoromethyl)phenyl)methyl ester

InChI

InChI=1S/C15H11F3O2/c16-15(17,18)13-8-6-11(7-9-13)10-20-14(19)12-4-2-1-3-5-12/h1-9H,10H2

InChI Key

UMZAUSNEEFIVRJ-UHFFFAOYSA-N

Formula

C15H11F3O2

SMILES

O=C(OCc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

280.24

• 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	0.6066		Relay (1.0) Calculated Property
ΔfG°	-524.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.91	kJ/mol	Joback Calculated Property
ΔvapH°	81.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	4.062		Crippen Calculated Property
McVol	187.440	ml/mol	McGowan Calculated Property
Pc	2309.17	kPa	Joback Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	577.26	K	Relay (1.0) Calculated Property
Tc	809.39	K	Relay (1.0) Calculated Property
Tfus	313.78	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.85; 561.10]	J/mol×K	[671.81; 891.88]
Cp,gas	492.85	J/mol×K	671.81	Joback Calculated Property
Cp,gas	506.80	J/mol×K	708.49	Joback Calculated Property
Cp,gas	519.63	J/mol×K	745.17	Joback Calculated Property
Cp,gas	531.42	J/mol×K	781.84	Joback Calculated Property
Cp,gas	542.21	J/mol×K	818.52	Joback Calculated Property
Cp,gas	552.08	J/mol×K	855.20	Joback Calculated Property
Cp,gas	561.10	J/mol×K	891.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, (4-(trifluoromethyl)phenyl)methyl ester.

Sources

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

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