Chemical Properties of Carbonic acid, monoamide, N-hexadecyl-, but-3-yn-1-yl ester

InChI

InChI=1S/C21H39NO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-21(23)24-20-6-4-2/h2H,3,5-20H2,1H3,(H,22,23)

InChI Key

KQMVFUAMARSWQX-UHFFFAOYSA-N

Formula

C21H39NO2

SMILES

C#CCCOC(O)=NCCCCCCCCCCCCCCCC

Molecular Weight¹

337.54

• 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	-396.89	kJ/mol	Joback Calculated Property
ΔvapH°	84.68	kJ/mol	Joback Calculated Property
log10WS	-6.97		Crippen Calculated Property
logPoct/wat	6.422		Crippen Calculated Property
McVol	315.570	ml/mol	McGowan Calculated Property
Pc	1033.24	kPa	Joback Calculated Property
Inp	[2123.00; 2123.00]
Inp	2123.00		NIST
Inp	2123.00		NIST
Tboil	861.16	K	Joback Calculated Property
Tc	1054.57	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, monoamide, N-hexadecyl-, but-3-yn-1-yl ester.

Sources

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

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