Chemical Properties of 2-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester

InChI

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

InChI Key

KZBUKYOPXCWIMY-UHFFFAOYSA-N

Formula

C14H7F5O2

SMILES

O=C(Oc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F

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	[1607.00; 1607.00]
Inp	1607.00		NIST
Inp	1607.00		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 2-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.