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

InChI

InChI=1S/C23H27NO4/c25-22(27-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)24-23(26)28-17-19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H,24,26)

InChI Key

SVNTUHBJDOGOAL-UHFFFAOYSA-N

Formula

C23H27NO4

SMILES

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

Molecular Weight¹

381.46

• 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	0.9495		Relay (1.0) Calculated Property
ΔfG°	-9.62	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-567.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	137.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	4.809		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[3011.00; 3011.00]
Inp	3011.00		NIST
Inp	3011.00		NIST
Tboil	700.72	K	Relay (1.0) Calculated Property
Tc	989.28	K	Relay (1.0) Calculated Property
Tfus	373.09	K	Relay (1.0) Calculated Property
Vc	1.046	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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