Chemical Properties of Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester

InChI

InChI=1S/C21H39NO4/c1-5-7-11-17(6-2)15-26-21(24)22-19(18-12-9-8-10-13-18)20(23)25-14-16(3)4/h16-19H,5-15H2,1-4H3,(H,22,24)

InChI Key

PAFLSJGABCJUKN-UHFFFAOYSA-N

Formula

C21H39NO4

SMILES

CCCCC(CC)COC(O)=NC(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	-895.11	kJ/mol	Joback Calculated Property
ΔvapH°	93.24	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	5.282		Crippen Calculated Property
McVol	320.750	ml/mol	McGowan Calculated Property
Pc	1123.06	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	965.56	K	Joback Calculated Property
Tc	1182.61	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isobutyl ester.

Sources

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

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