Chemical Properties of Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, octyl ester

InChI

InChI=1S/C21H39NO4/c1-4-5-6-7-8-12-15-25-20(23)19(18-13-10-9-11-14-18)22-21(24)26-16-17(2)3/h17-19H,4-16H2,1-3H3,(H,22,24)

InChI Key

MTJYGRLLWIUILT-UHFFFAOYSA-N

Formula

C21H39NO4

SMILES

CCCCCCCCOC(=O)C(N=C(O)OCC(C)C)C1CCCCC1

Molecular Weight¹

369.54

• 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	-889.83	kJ/mol	Joback Calculated Property
ΔvapH°	93.63	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	5.426		Crippen Calculated Property
McVol	320.750	ml/mol	McGowan Calculated Property
Pc	1117.06	kPa	Joback Calculated Property
Inp	[2175.00; 2175.00]
Inp	2175.00		NIST
Inp	2175.00		NIST
Tboil	966.00	K	Joback Calculated Property
Tc	1182.83	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, octyl ester.

Sources

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

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