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

InChI

InChI=1S/C24H41NO4/c1-3-5-7-8-9-10-11-12-16-20-28-23(26)22(21-17-14-13-15-18-21)25-24(27)29-19-6-4-2/h2,21-22H,3,5-20H2,1H3,(H,25,27)

InChI Key

SKCABHVURBQMBX-UHFFFAOYSA-N

Formula

C24H41NO4

SMILES

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

Molecular Weight¹

407.59

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.1239		Relay (... Calculated Property
ΔfG°	-28.73	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-864.87	kJ/mol	Relay (... Calculated Property
ΔvapH°	135.28	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-6.09		Relay (... Calculated Property
logPoct/wat	5.963		Crippen Calculated Property
McVol	354.420	ml/mol	McGowan Calculated Property
Pc	1014.24	kPa	Joback Calculated Property
Inp	[2798.00; 2798.00]
Inp	2798.00		NIST
Inp	2798.00		NIST
Tboil	695.32	K	Relay (... Calculated Property
Tc	896.50	K	Relay (... Calculated Property
Tfus	359.86	K	Relay (... Calculated Property
Vc	1.243	m3/kmol	Relay (... Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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