Chemical Properties of Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, heptyl ester

InChI

InChI=1S/C20H33NO4/c1-3-5-7-8-12-16-24-19(22)18(17-13-10-9-11-14-17)21-20(23)25-15-6-4-2/h17-18H,3,5,7-16H2,1-2H3,(H,21,23)

InChI Key

BKYZAMKQIFSTDG-UHFFFAOYSA-N

Formula

C20H33NO4

SMILES

CC#CCOC(O)=NC(C(=O)OCCCCCCC)C1CCCCC1

Molecular Weight¹

351.48

• 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	-591.61	kJ/mol	Joback Calculated Property
ΔvapH°	93.95	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen Calculated Property
logPoct/wat	4.403		Crippen Calculated Property
McVol	298.060	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[2498.00; 2498.00]
Inp	2498.00		NIST
Inp	2498.00		NIST
Tboil	952.56	K	Joback Calculated Property
Tc	1170.78	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, heptyl ester.

Sources

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

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