Chemical Properties of 3-Trifluoromethylbenzoic acid, 2-methylphenyl ester

InChI

InChI=1S/C15H11F3O2/c1-10-5-2-3-8-13(10)20-14(19)11-6-4-7-12(9-11)15(16,17)18/h2-9H,1H3

InChI Key

QCNWTYLDMGJHMZ-UHFFFAOYSA-N

Formula

C15H11F3O2

SMILES

Cc1ccccc1OC(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

280.24

• 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°	-534.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-744.69	kJ/mol	Joback Calculated Property
ΔfusH°	26.52	kJ/mol	Joback Calculated Property
ΔvapH°	60.27	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	4.233		Crippen Calculated Property
McVol	187.440	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[1645.00; 1645.00]
Inp	1645.00		NIST
Inp	1645.00		NIST
Tboil	676.79	K	Joback Calculated Property
Tc	897.71	K	Joback Calculated Property
Tfus	413.04	K	Joback Calculated Property
Vc	0.727	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.84; 559.37]	J/mol×K	[676.79; 897.71]
Cp,gas	491.84	J/mol×K	676.79	Joback Calculated Property
Cp,gas	505.60	J/mol×K	713.61	Joback Calculated Property
Cp,gas	518.28	J/mol×K	750.43	Joback Calculated Property
Cp,gas	529.94	J/mol×K	787.25	Joback Calculated Property
Cp,gas	540.64	J/mol×K	824.07	Joback Calculated Property
Cp,gas	550.43	J/mol×K	860.89	Joback Calculated Property
Cp,gas	559.37	J/mol×K	897.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2-methylphenyl ester.

Sources

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

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