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

InChI

InChI=1S/C11H10F3NO3/c1-18-9(16)6-15-10(17)7-4-2-3-5-8(7)11(12,13)14/h2-5H,6H2,1H3,(H,15,17)

InChI Key

KPKRWVXKKRMUMA-UHFFFAOYSA-N

Formula

C11H10F3NO3

SMILES

COC(=O)CNC(=O)c1ccccc1C(F)(F)F

Molecular Weight¹

261.20

• 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°	-710.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.30	kJ/mol	Joback Calculated Property
ΔfusH°	29.21	kJ/mol	Joback Calculated Property
ΔvapH°	61.61	kJ/mol	Joback Calculated Property
log10WS	-2.62		Crippen Calculated Property
logPoct/wat	1.608		Crippen Calculated Property
McVol	166.390	ml/mol	McGowan Calculated Property
Pc	2624.46	kPa	Joback Calculated Property
Inp	[1599.00; 1599.00]
Inp	1599.00		NIST
Inp	1599.00		NIST
Tboil	657.65	K	Joback Calculated Property
Tc	858.75	K	Joback Calculated Property
Tfus	431.61	K	Joback Calculated Property
Vc	0.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.83; 495.58]	J/mol×K	[657.65; 858.75]
Cp,gas	438.83	J/mol×K	657.65	Joback Calculated Property
Cp,gas	450.18	J/mol×K	691.17	Joback Calculated Property
Cp,gas	460.73	J/mol×K	724.68	Joback Calculated Property
Cp,gas	470.51	J/mol×K	758.20	Joback Calculated Property
Cp,gas	479.56	J/mol×K	791.72	Joback Calculated Property
Cp,gas	487.90	J/mol×K	825.24	Joback Calculated Property
Cp,gas	495.58	J/mol×K	858.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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