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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1173.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.60	kJ/mol	Joback Calculated Property
ΔvapH°	57.42	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	3329.68	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
Tfus	312.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.76; 285.72]	J/mol×K	[470.84; 644.61]
Cp,gas	240.76	J/mol×K	470.84	Joback Calculated Property
Cp,gas	249.40	J/mol×K	499.80	Joback Calculated Property
Cp,gas	257.56	J/mol×K	528.76	Joback Calculated Property
Cp,gas	265.27	J/mol×K	557.72	Joback Calculated Property
Cp,gas	272.52	J/mol×K	586.68	Joback Calculated Property
Cp,gas	279.33	J/mol×K	615.65	Joback Calculated Property
Cp,gas	285.72	J/mol×K	644.61	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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