Chemical Properties of 2,3,4-Trifluorobenzoic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C15H11F3O2/c1-8-5-9(2)7-10(6-8)20-15(19)11-3-4-12(16)14(18)13(11)17/h3-7H,1-2H3

InChI Key

JFBJHQAKRZWJKB-UHFFFAOYSA-N

Formula

C15H11F3O2

SMILES

Cc1cc(C)cc(OC(=O)c2ccc(F)c(F)c2F)c1

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	0.6907		Relay (... Calculated Property
ΔfG°	-566.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-747.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.77	kJ/mol	Joback Calculated Property
ΔvapH°	82.72	kJ/mol	Relay (... Calculated Property
IE	8.50	eV	Relay (... Calculated Property
log10WS	-5.78		Relay (... Calculated Property
logPoct/wat	3.940		Crippen Calculated Property
McVol	187.440	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[1785.00; 1785.00]
Inp	1785.00		NIST
Inp	1785.00		NIST
Tboil	578.82	K	Relay (... Calculated Property
Tc	821.52	K	Relay (... Calculated Property
Tfus	325.09	K	Relay (... Calculated Property
Vc	0.695	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.58; 550.31]	J/mol×K	[694.96; 907.10]
Cp,gas	485.58	J/mol×K	694.96	Joback Calculated Property
Cp,gas	498.43	J/mol×K	730.32	Joback Calculated Property
Cp,gas	510.44	J/mol×K	765.67	Joback Calculated Property
Cp,gas	521.62	J/mol×K	801.03	Joback Calculated Property
Cp,gas	531.98	J/mol×K	836.38	Joback Calculated Property
Cp,gas	541.54	J/mol×K	871.74	Joback Calculated Property
Cp,gas	550.31	J/mol×K	907.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 3,5-dimethylphenyl ester.

Sources

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

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