Chemical Properties of Glycine, 2-cyclohexyl-N-(but-3-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/h2,17-18H,3,5-16H2,1H3,(H,21,23)

InChI Key

OLHGSYROXMESRL-UHFFFAOYSA-N

Formula

C20H33NO4

SMILES

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

Molecular Weight¹

351.48

• 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	0.9792		Relay (1.0) Calculated Property
ΔfG°	-60.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-779.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.403		Crippen Calculated Property
McVol	298.060	ml/mol	McGowan Calculated Property
Pc	1316.56	kPa	Joback Calculated Property
Inp	[2403.00; 2403.00]
Inp	2403.00		NIST
Inp	2403.00		NIST
Tboil	665.78	K	Relay (1.0) Calculated Property
Tc	863.12	K	Relay (1.0) Calculated Property
Tfus	351.80	K	Relay (1.0) Calculated Property
Vc	1.027	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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