Chemical Properties of D-Alanine, N-propargyloxycarbonyl-, propargyl ester

InChI

InChI=1S/C10H11NO4/c1-4-6-14-9(12)8(3)11-10(13)15-7-5-2/h1-2,8H,6-7H2,3H3,(H,11,13)

InChI Key

DUPASYGKEDEDEO-UHFFFAOYSA-N

Formula

C10H11NO4

SMILES

C#CCOC(=O)C(C)N=C(O)OCC#C

Molecular Weight¹

209.20

• 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	-128.03	kJ/mol	Joback Calculated Property
ΔvapH°	68.82	kJ/mol	Joback Calculated Property
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	0.115		Crippen Calculated Property
McVol	159.420	ml/mol	McGowan Calculated Property
Pc	2912.39	kPa	Joback Calculated Property
Inp	[1530.00; 1530.00]
Inp	1530.00		NIST
Inp	1530.00		NIST
Tboil	675.45	K	Joback Calculated Property
Tc	879.99	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-propargyloxycarbonyl-, propargyl ester.

Sources

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

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