Chemical Properties of val-gly

InChI

InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)

InChI Key

IOUPEELXVYPCPG-UHFFFAOYSA-N

Formula

C7H14N2O3

SMILES

CC(C)C(N)C(=O)NCC(=O)O

Molecular Weight¹

174.20

• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[204.45; 454.20]	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			1.04010e+01
Coefficient B			8.41540e-01
Coefficient C			-5.09300e-04
Coefficient D			1.11560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.45	J/mol×K	273.00	Calculated Property
Cp,gas	249.32	J/mol×K	353.78	Calculated Property
Cp,gas	289.08	J/mol×K	434.56	Calculated Property
Cp,gas	324.09	J/mol×K	515.33	Calculated Property
Cp,gas	354.70	J/mol×K	596.11	Calculated Property
Cp,gas	381.28	J/mol×K	676.89	Calculated Property
Cp,gas	404.16	J/mol×K	757.67	Calculated Property
Cp,gas	423.71	J/mol×K	838.44	Calculated Property
Cp,gas	440.27	J/mol×K	919.22	Calculated Property
Cp,gas	454.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to val-gly.

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

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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