Chemical Properties of L-Threonine, N-glycyl- (CAS 7093-70-1)

InChI

InChI=1S/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)

InChI Key

OLIFSFOFKGKIRH-UHFFFAOYSA-N

Formula

C6H12N2O4

SMILES

CC(O)C(NC(=O)CN)C(=O)O

Molecular Weight¹

176.17

CAS

7093-70-1

Other Names

• N-glycyl-L-threonine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.74; 421.28]	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			1.66010e+01
Coefficient B			7.80520e-01
Coefficient C			-4.85300e-04
Coefficient D			1.09460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.74	J/mol×K	273.00	Calculated Property
Cp,gas	236.84	J/mol×K	353.78	Calculated Property
Cp,gas	273.12	J/mol×K	434.56	Calculated Property
Cp,gas	304.93	J/mol×K	515.33	Calculated Property
Cp,gas	332.61	J/mol×K	596.11	Calculated Property
Cp,gas	356.52	J/mol×K	676.89	Calculated Property
Cp,gas	376.99	J/mol×K	757.67	Calculated Property
Cp,gas	394.38	J/mol×K	838.44	Calculated Property
Cp,gas	409.03	J/mol×K	919.22	Calculated Property
Cp,gas	421.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Threonine, N-glycyl-.

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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