Chemical Properties of Methyl 3-(N-trifluoroacetylamino)benzoate

InChI

InChI=1S/C10H8F3NO3/c1-17-8(15)6-3-2-4-7(5-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

InChI Key

KZAHZSHFBNWZPX-UHFFFAOYSA-N

Formula

C10H8F3NO3

SMILES

COC(=O)c1cccc(NC(=O)C(F)(F)F)c1

Molecular Weight¹

247.17

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5926		Relay (1.0) Calculated Property
ΔfG°	-718.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1063.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.62	kJ/mol	Joback Calculated Property
ΔvapH°	75.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	1.974		Crippen Calculated Property
McVol	152.300	ml/mol	McGowan Calculated Property
Pc	2902.98	kPa	Joback Calculated Property
Inp	[1529.00; 1529.00]
Inp	1529.00		NIST
Inp	1529.00		NIST
Tboil	540.03	K	Relay (1.0) Calculated Property
Tc	740.34	K	Relay (1.0) Calculated Property
Tfus	373.54	K	Relay (1.0) Calculated Property
Vc	0.538	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[390.09; 443.53]	J/mol×K	[634.77; 838.61]
Cp,gas	390.09	J/mol×K	634.77	Joback Calculated Property
Cp,gas	400.83	J/mol×K	668.74	Joback Calculated Property
Cp,gas	410.79	J/mol×K	702.72	Joback Calculated Property
Cp,gas	420.01	J/mol×K	736.69	Joback Calculated Property
Cp,gas	428.52	J/mol×K	770.67	Joback Calculated Property
Cp,gas	436.34	J/mol×K	804.64	Joback Calculated Property
Cp,gas	443.53	J/mol×K	838.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 3-(N-trifluoroacetylamino)benzoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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