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

InChI

InChI=1S/C26H51NO4/c1-4-7-9-11-13-14-15-16-18-19-22-30-25(28)24(21-6-3)27-26(29)31-23-20-17-12-10-8-5-2/h24H,4-23H2,1-3H3,(H,27,29)/t24-/m1/s1

InChI Key

OQMXQSZICIIMCH-XMMPIXPASA-N

Formula

C26H51NO4

SMILES

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

Molecular Weight¹

441.69

• 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	-1042.07	kJ/mol	Joback Calculated Property
ΔvapH°	104.72	kJ/mol	Joback Calculated Property
log10WS	-8.25		Crippen Calculated Property
logPoct/wat	7.910		Crippen Calculated Property
McVol	402.060	ml/mol	McGowan Calculated Property
Pc	736.42	kPa	Joback Calculated Property
Inp	[2985.00; 2985.00]
Inp	2985.00		NIST
Inp	2985.00		NIST
Tboil	1061.29	K	Joback Calculated Property
Tc	1329.92	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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