Chemical Properties of Glycine, N-(trifluoroacetyl)-, methyl ester (CAS 383-72-2)

InChI

InChI=1S/C5H6F3NO3/c1-12-3(10)2-9-4(11)5(6,7)8/h2H2,1H3,(H,9,11)

InChI Key

BTZLVUPFAOBHFS-UHFFFAOYSA-N

Formula

C5H6F3NO3

SMILES

COC(=O)CNC(=O)C(F)(F)F

Molecular Weight¹

185.10

CAS

383-72-2

Other Names

• Methyl [(trifluoroacetyl)amino]acetate

• 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_subH : Enthalpy of sublimation at a given temperature (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	0.4524		Relay (1.0) Calculated Property
ΔfG°	-863.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1173.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.02	kJ/mol	Joback Calculated Property
ΔvapH°	56.61	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-0.26		Relay (1.0) Calculated Property
logPoct/wat	-0.162		Crippen Calculated Property
McVol	105.610	ml/mol	McGowan Calculated Property
Pc	3493.01	kPa	Joback Calculated Property
Inp	[955.00; 955.00]
Inp	955.00		NIST
Inp	955.00		NIST
Tboil	440.43	K	Relay (1.0) Calculated Property
Tc	585.43	K	Relay (1.0) Calculated Property
Tfus	316.50	K	Relay (1.0) Calculated Property
Vc	0.380	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.40; 286.86]	J/mol×K	[488.71; 665.53]
Cp,gas	243.40	J/mol×K	488.71	Joback Calculated Property
Cp,gas	251.71	J/mol×K	518.18	Joback Calculated Property
Cp,gas	259.57	J/mol×K	547.65	Joback Calculated Property
Cp,gas	267.01	J/mol×K	577.12	Joback Calculated Property
Cp,gas	274.03	J/mol×K	606.59	Joback Calculated Property
Cp,gas	280.64	J/mol×K	636.06	Joback Calculated Property
Cp,gas	286.86	J/mol×K	665.53	Joback Calculated Property
ΔsubH	57.30	kJ/mol	378.00	NIST

Similar Compounds

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

Sources

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

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