Chemical Properties of Glycine, N-(but-3-yn-1-yl)oxycarbonyl-, but-3-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/h1-2,14-15H,5-13H2,(H,18,20)

InChI Key

GHMFELNETGYKIM-UHFFFAOYSA-N

Formula

C17H23NO4

SMILES

C#CCCOC(=O)NC(C(=O)OCCC#C)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°	181.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-197.50	kJ/mol	Joback Calculated Property
ΔfusH°	44.72	kJ/mol	Joback Calculated Property
ΔvapH°	77.94	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	2000.12	kPa	Joback Calculated Property
Inp	[2143.00; 2143.00]
Inp	2143.00		NIST
Inp	2143.00		NIST
Tboil	790.46	K	Joback Calculated Property
Tc	1007.63	K	Joback Calculated Property
Tfus	564.65	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.98; 820.66]	J/mol×K	[790.46; 1007.63]
Cp,gas	740.98	J/mol×K	790.46	Joback Calculated Property
Cp,gas	757.22	J/mol×K	826.65	Joback Calculated Property
Cp,gas	772.23	J/mol×K	862.85	Joback Calculated Property
Cp,gas	786.05	J/mol×K	899.04	Joback Calculated Property
Cp,gas	798.70	J/mol×K	935.24	Joback Calculated Property
Cp,gas	810.23	J/mol×K	971.43	Joback Calculated Property
Cp,gas	820.66	J/mol×K	1007.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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