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

InChI

InChI=1S/C18H11F3O2/c19-18(20,21)15-7-3-6-14(10-15)17(22)23-16-9-8-12-4-1-2-5-13(12)11-16/h1-11H

InChI Key

GGUXZFJQGVPWCD-UHFFFAOYSA-N

Formula

C18H11F3O2

SMILES

O=C(Oc1ccc2ccccc2c1)c1cccc(C(F)(F)F)c1

Molecular Weight¹

316.27

• 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°	-402.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-615.54	kJ/mol	Joback Calculated Property
ΔfusH°	31.31	kJ/mol	Joback Calculated Property
ΔvapH°	68.59	kJ/mol	Joback Calculated Property
log10WS	-6.47		Crippen Calculated Property
logPoct/wat	5.078		Crippen Calculated Property
McVol	210.250	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[2156.00; 2156.00]
Inp	2156.00		NIST
Inp	2156.00		NIST
Tboil	764.41	K	Joback Calculated Property
Tc	998.28	K	Joback Calculated Property
Tfus	479.55	K	Joback Calculated Property
Vc	0.817	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[580.59; 643.89]	J/mol×K	[764.41; 998.28]
Cp,gas	580.59	J/mol×K	764.41	Joback Calculated Property
Cp,gas	593.54	J/mol×K	803.39	Joback Calculated Property
Cp,gas	605.38	J/mol×K	842.37	Joback Calculated Property
Cp,gas	616.23	J/mol×K	881.34	Joback Calculated Property
Cp,gas	626.19	J/mol×K	920.32	Joback Calculated Property
Cp,gas	635.37	J/mol×K	959.30	Joback Calculated Property
Cp,gas	643.89	J/mol×K	998.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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