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

InChI

InChI=1S/C21H35NO4/c1-3-5-7-8-9-13-17-25-20(23)19(18-14-11-10-12-15-18)22-21(24)26-16-6-4-2/h18-19H,3,5,7-17H2,1-2H3,(H,22,24)

InChI Key

SHXWKHONQQWFSI-UHFFFAOYSA-N

Formula

C21H35NO4

SMILES

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

Molecular Weight¹

365.51

• 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	-612.25	kJ/mol	Joback Calculated Property
ΔvapH°	96.17	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	4.793		Crippen Calculated Property
McVol	312.150	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2594.00; 2594.00]
Inp	2594.00		NIST
Inp	2594.00		NIST
Tboil	975.44	K	Joback Calculated Property
Tc	1196.28	K	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.