Chemical Properties of Glycine, N-[N-[N-(trifluoroacetyl)glycyl]glycyl]-, methyl ester

InChI

InChI=1S/C9H12F3N3O5/c1-20-7(18)4-14-5(16)2-13-6(17)3-15-8(19)9(10,11)12/h2-4H2,1H3,(H,13,17)(H,14,16)(H,15,19)

InChI Key

JRPDARCFVAMKNG-UHFFFAOYSA-N

Formula

C9H12F3N3O5

SMILES

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

Molecular Weight¹

299.20

Other Names

• N-[N-(N-[trifluoroacetyl]glycyl)glycyl]glycine methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[542.96; 586.11]	J/mol×K	[770.44; 960.48]
Cp,gas	542.96	J/mol×K	770.44	Joback Calculated Property
Cp,gas	551.90	J/mol×K	802.11	Joback Calculated Property
Cp,gas	560.10	J/mol×K	833.79	Joback Calculated Property
Cp,gas	567.60	J/mol×K	865.46	Joback Calculated Property
Cp,gas	574.42	J/mol×K	897.13	Joback Calculated Property
Cp,gas	580.58	J/mol×K	928.81	Joback Calculated Property
Cp,gas	586.11	J/mol×K	960.48	Joback Calculated Property
ΔsubH	133.40	kJ/mol	388.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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