Chemical Properties of 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester

InChI

InChI=1S/C14H7BrF4O2/c15-11-7-8(16)5-6-12(11)21-13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7H

InChI Key

TZOAFPPYRMIKQT-UHFFFAOYSA-N

Formula

C14H7BrF4O2

SMILES

O=C(Oc1ccc(F)cc1Br)c1ccccc1C(F)(F)F

Molecular Weight¹

363.10

• 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°	-733.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.30	kJ/mol	Joback Calculated Property
ΔfusH°	31.91	kJ/mol	Joback Calculated Property
ΔvapH°	64.32	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	4.826		Crippen Calculated Property
McVol	192.620	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[1874.00; 1874.00]
Inp	1874.00		NIST
Inp	1874.00		NIST
Tboil	724.32	K	Joback Calculated Property
Tc	950.72	K	Joback Calculated Property
Tfus	474.68	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.93; 533.90]	J/mol×K	[724.32; 950.72]
Cp,gas	481.93	J/mol×K	724.32	Joback Calculated Property
Cp,gas	492.73	J/mol×K	762.05	Joback Calculated Property
Cp,gas	502.59	J/mol×K	799.79	Joback Calculated Property
Cp,gas	511.57	J/mol×K	837.52	Joback Calculated Property
Cp,gas	519.74	J/mol×K	875.25	Joback Calculated Property
Cp,gas	527.16	J/mol×K	912.99	Joback Calculated Property
Cp,gas	533.90	J/mol×K	950.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester.

Sources

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

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