Chemical Properties of 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester

InChI

InChI=1S/C15H10F4O2/c1-9-3-2-4-11(7-9)21-14(20)12-8-10(16)5-6-13(12)15(17,18)19/h2-8H,1H3

InChI Key

AGCBEOCHUMNATA-UHFFFAOYSA-N

Formula

C15H10F4O2

SMILES

Cc1cccc(OC(=O)c2cc(F)ccc2C(F)(F)F)c1

Molecular Weight¹

298.23

• 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°	-738.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.27	kJ/mol	Joback Calculated Property
ΔfusH°	29.21	kJ/mol	Joback Calculated Property
ΔvapH°	60.11	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	4.372		Crippen Calculated Property
McVol	189.210	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
Tboil	681.04	K	Joback Calculated Property
Tc	893.48	K	Joback Calculated Property
Tfus	426.15	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.78; 562.82]	J/mol×K	[681.04; 893.48]
Cp,gas	498.78	J/mol×K	681.04	Joback Calculated Property
Cp,gas	511.73	J/mol×K	716.45	Joback Calculated Property
Cp,gas	523.70	J/mol×K	751.85	Joback Calculated Property
Cp,gas	534.75	J/mol×K	787.26	Joback Calculated Property
Cp,gas	544.92	J/mol×K	822.66	Joback Calculated Property
Cp,gas	554.26	J/mol×K	858.07	Joback Calculated Property
Cp,gas	562.82	J/mol×K	893.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Fluoro-2-trifluoromethylbenzoic acid, 3-methylphenyl ester.

Sources

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

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