Chemical Properties of Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester

InChI

InChI=1S/C26H45NO4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-25(28)24(23-19-16-15-17-20-23)27-26(29)31-21-6-4-2/h2,23-24H,3,5-22H2,1H3,(H,27,29)

InChI Key

FRFRBYBCDDNNQD-UHFFFAOYSA-N

Formula

C26H45NO4

SMILES

C#CCCOC(O)=NC(C(=O)OCCCCCCCCCCCCC)C1CCCCC1

Molecular Weight¹

435.64

• 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	-695.85	kJ/mol	Joback Calculated Property
ΔvapH°	105.01	kJ/mol	Joback Calculated Property
log10WS	-7.69		Crippen Calculated Property
logPoct/wat	6.743		Crippen Calculated Property
McVol	382.600	ml/mol	McGowan Calculated Property
Pc	900.72	kPa	Joback Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tboil	1070.96	K	Joback Calculated Property
Tc	1317.44	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester.

Sources

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

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