Chemical Properties of Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, butyl ester

InChI

InChI=1S/C20H29NO4/c1-2-3-14-24-19(22)18(17-12-8-5-9-13-17)21-20(23)25-15-16-10-6-4-7-11-16/h4,6-7,10-11,17-18H,2-3,5,8-9,12-15H2,1H3,(H,21,23)

InChI Key

UHSBCOQTQCVBNJ-UHFFFAOYSA-N

Formula

C20H29NO4

SMILES

CCCCOC(=O)C(N=C(O)OCc1ccccc1)C1CCCCC1

Molecular Weight¹

347.45

• 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	0.9588		Relay (1.0) Calculated Property
ΔfG°	-137.92	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-757.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	119.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	4.409		Crippen Calculated Property
McVol	282.900	ml/mol	McGowan Calculated Property
Pc	1510.50	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	657.64	K	Relay (1.0) Calculated Property
Tc	897.44	K	Relay (1.0) Calculated Property
Tfus	343.55	K	Relay (1.0) Calculated Property
Vc	0.988	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, butyl 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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