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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.44; 398.67]	J/mol×K	[685.05; 877.73]
Cp,gas	362.44	J/mol×K	685.05	Joback Calculated Property
Cp,gas	369.74	J/mol×K	717.16	Joback Calculated Property
Cp,gas	376.50	J/mol×K	749.28	Joback Calculated Property
Cp,gas	382.73	J/mol×K	781.39	Joback Calculated Property
Cp,gas	388.48	J/mol×K	813.50	Joback Calculated Property
Cp,gas	393.78	J/mol×K	845.62	Joback Calculated Property
Cp,gas	398.67	J/mol×K	877.73	Joback Calculated Property
ΔsubH	67.00	kJ/mol	348.00	NIST

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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