Chemical Properties of N-[N-(Trifluoroacetyl)glycylglycine (CAS 400-58-8)

InChI

InChI=1S/C6H7F3N2O4/c7-6(8,9)5(15)11-1-3(12)10-2-4(13)14/h1-2H2,(H,10,12)(H,11,15)(H,13,14)

InChI Key

UWXMXPPHLZYYPM-UHFFFAOYSA-N

Formula

C6H7F3N2O4

SMILES

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

Molecular Weight¹

228.13

CAS

400-58-8

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.74; 414.15]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			8.13200e+00
Coefficient B			8.82200e-01
Coefficient C			-6.56000e-04
Coefficient D			1.79820e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.74	J/mol×K	273.00	Calculated Property
Cp,gas	246.09	J/mol×K	353.78	Calculated Property
Cp,gas	282.38	J/mol×K	434.56	Calculated Property
Cp,gas	313.16	J/mol×K	515.33	Calculated Property
Cp,gas	339.00	J/mol×K	596.11	Calculated Property
Cp,gas	360.49	J/mol×K	676.89	Calculated Property
Cp,gas	378.17	J/mol×K	757.67	Calculated Property
Cp,gas	392.64	J/mol×K	838.44	Calculated Property
Cp,gas	404.44	J/mol×K	919.22	Calculated Property
Cp,gas	414.15	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-[N-(Trifluoroacetyl)glycylglycine.

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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