Chemical Properties of D-Alanine, N-neopentyloxycarbonyl-, pentadecyl ester

InChI

InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22(26)21(2)25-23(27)29-20-24(3,4)5/h21H,6-20H2,1-5H3,(H,25,27)

InChI Key

ZWVVXVIBCRAKBN-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC(C)(C)C

Molecular Weight¹

413.63

• 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	-1009.54	kJ/mol	Joback Calculated Property
ΔvapH°	98.97	kJ/mol	Joback Calculated Property
log10WS	-7.17		Crippen Calculated Property
logPoct/wat	6.986		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Pc	828.59	kPa	Joback Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	1012.30	K	Joback Calculated Property
Tc	1248.52	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, pentadecyl ester.

Sources

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

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