Chemical Properties of l-Norvaline, N-ethoxycarbonyl-, butyl ester

InChI

InChI=1S/C12H23NO4/c1-4-7-9-17-11(14)10(8-5-2)13-12(15)16-6-3/h10H,4-9H2,1-3H3,(H,13,15)

InChI Key

XLGKISXNVJDRID-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCCCOC(=O)C(CCC)N=C(O)OCC

Molecular Weight¹

245.32

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-753.11	kJ/mol	Joback Calculated Property
ΔvapH°	73.56	kJ/mol	Joback Calculated Property
log10WS	-2.39		Crippen Calculated Property
logPoct/wat	2.449		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[1527.00; 1527.00]
Inp	1527.00		NIST
Inp	1527.00		NIST
Tboil	740.97	K	Joback Calculated Property
Tc	925.58	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-ethoxycarbonyl-, butyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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