Chemical Properties of l-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester

InChI

InChI=1S/C14H16F3NO3S/c1-21-13(20)11(7-8-22-2)18-12(19)9-5-3-4-6-10(9)14(15,16)17/h3-6,11H,7-8H2,1-2H3,(H,18,19)

InChI Key

RVQXGMNGQXKZSU-UHFFFAOYSA-N

Formula

C14H16F3NO3S

SMILES

COC(=O)C(CCSC)NC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

335.34

• 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°	-654.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.63	kJ/mol	Joback Calculated Property
ΔfusH°	37.59	kJ/mol	Joback Calculated Property
ΔvapH°	74.72	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	2.730		Crippen Calculated Property
McVol	225.010	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
Tboil	794.63	K	Joback Calculated Property
Tc	1006.18	K	Joback Calculated Property
Tfus	484.82	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[646.34; 704.52]	J/mol×K	[794.63; 1006.18]
Cp,gas	646.34	J/mol×K	794.63	Joback Calculated Property
Cp,gas	658.40	J/mol×K	829.89	Joback Calculated Property
Cp,gas	669.46	J/mol×K	865.15	Joback Calculated Property
Cp,gas	679.57	J/mol×K	900.41	Joback Calculated Property
Cp,gas	688.75	J/mol×K	935.67	Joback Calculated Property
Cp,gas	697.06	J/mol×K	970.93	Joback Calculated Property
Cp,gas	704.52	J/mol×K	1006.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Methionine, N-(2-trifluoromethylbenzoyl)-, methyl ester.

Sources

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

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