Chemical Properties of L-norvaline, n-isobutoxycarbonyl-, ethyl ester

InChI

InChI=1S/C12H23NO4/c1-5-7-10(11(14)16-6-2)13-12(15)17-8-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)

InChI Key

DCSNJOIXNSTESP-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCCC(NC(=O)OCC(C)C)C(=O)OCC

Molecular Weight¹

245.32

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[308.28; 692.60]	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			3.82240e+01
Coefficient B			1.12228e+00
Coefficient C			-4.94800e-04
Coefficient D			2.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.28	J/mol×K	273.00	Calculated Property
Cp,gas	374.52	J/mol×K	353.78	Calculated Property
Cp,gas	434.69	J/mol×K	434.56	Calculated Property
Cp,gas	488.85	J/mol×K	515.33	Calculated Property
Cp,gas	537.10	J/mol×K	596.11	Calculated Property
Cp,gas	579.52	J/mol×K	676.89	Calculated Property
Cp,gas	616.19	J/mol×K	757.67	Calculated Property
Cp,gas	647.21	J/mol×K	838.44	Calculated Property
Cp,gas	672.65	J/mol×K	919.22	Calculated Property
Cp,gas	692.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-norvaline, n-isobutoxycarbonyl-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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