Chemical Properties of l-Norvaline, n-propoxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C25H49NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-24(27)23(20-5-2)26-25(28)30-21-6-3/h23H,4-22H2,1-3H3,(H,26,28)

InChI Key

BJPLBEWLHQKOCX-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCC)NC(=O)OCCC

Molecular Weight¹

427.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• 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, 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	[584.37; 1362.75]	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			2.80890e+01
Coefficient B			2.35136e+00
Coefficient C			-1.19880e-03
Coefficient D			1.82100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	584.37	J/mol×K	273.00	Calculated Property
Cp,gas	717.97	J/mol×K	353.78	Calculated Property
Cp,gas	838.45	J/mol×K	434.56	Calculated Property
Cp,gas	946.38	J/mol×K	515.33	Calculated Property
Cp,gas	1042.34	J/mol×K	596.11	Calculated Property
Cp,gas	1126.91	J/mol×K	676.89	Calculated Property
Cp,gas	1200.66	J/mol×K	757.67	Calculated Property
Cp,gas	1264.16	J/mol×K	838.44	Calculated Property
Cp,gas	1318.00	J/mol×K	919.22	Calculated Property
Cp,gas	1362.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, n-propoxycarbonyl-, hexadecyl ester.

Sources

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

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