Chemical Properties of L-Norvaline, N-octyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C25H49NO4/c1-4-7-9-11-13-14-15-17-18-21-29-24(27)23(20-6-3)26-25(28)30-22-19-16-12-10-8-5-2/h23H,4-22H2,1-3H3,(H,26,28)/t23-/m1/s1

InChI Key

KJLICIPCZAOWEQ-HSZRJFAPSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCOC(=O)C(CCC)N=C(O)OCCCCCCCC

Molecular Weight¹

427.66

• 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	-1021.43	kJ/mol	Joback Calculated Property
ΔvapH°	102.49	kJ/mol	Joback Calculated Property
log10WS	-7.83		Crippen Calculated Property
logPoct/wat	7.520		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	776.34	kPa	Joback Calculated Property
Inp	[2886.00; 2886.00]
Inp	2886.00		NIST
Inp	2886.00		NIST
Tboil	1038.41	K	Joback Calculated Property
Tc	1293.43	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-octyloxycarbonyl-, undecyl ester.

Sources

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

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