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

InChI

InChI=1S/C17H23NO4/c1-3-5-12-21-16(19)15(14-10-8-7-9-11-14)18-17(20)22-13-6-4-2/h14-15H,7-13H2,1-2H3,(H,18,20)

InChI Key

CVFORSSTDLQCHO-UHFFFAOYSA-N

Formula

C17H23NO4

SMILES

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

Molecular Weight¹

305.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfG°	141.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.70	kJ/mol	Joback Calculated Property
ΔfusH°	45.01	kJ/mol	Joback Calculated Property
ΔvapH°	82.53	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	2.251		Crippen Calculated Property
McVol	247.190	ml/mol	McGowan Calculated Property
Pc	2043.76	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	828.22	K	Joback Calculated Property
Tc	1061.27	K	Joback Calculated Property
Tfus	682.91	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.94; 827.31]	J/mol×K	[828.22; 1061.27]
Cp,gas	748.94	J/mol×K	828.22	Joback Calculated Property
Cp,gas	765.60	J/mol×K	867.06	Joback Calculated Property
Cp,gas	780.80	J/mol×K	905.90	Joback Calculated Property
Cp,gas	794.56	J/mol×K	944.75	Joback Calculated Property
Cp,gas	806.89	J/mol×K	983.59	Joback Calculated Property
Cp,gas	817.80	J/mol×K	1022.43	Joback Calculated Property
Cp,gas	827.31	J/mol×K	1061.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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