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

InChI

InChI=1S/C21H41NO4/c1-6-7-8-9-10-11-12-13-14-15-16-25-19(23)18(2)22-20(24)26-17-21(3,4)5/h18H,6-17H2,1-5H3,(H,22,24)

InChI Key

OXSDEGJPWDHGBP-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC(C)(C)C

Molecular Weight¹

371.55

• 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	-947.62	kJ/mol	Joback Calculated Property
ΔvapH°	92.29	kJ/mol	Joback Calculated Property
log10WS	-5.91		Crippen Calculated Property
logPoct/wat	5.816		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	985.16	kPa	Joback Calculated Property
Inp	[2406.00; 2406.00]
Inp	2406.00		NIST
Inp	2406.00		NIST
Tboil	943.66	K	Joback Calculated Property
Tc	1155.92	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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