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

InChI

InChI=1S/C21H31NO4/c1-2-3-10-15-25-20(23)19(18-13-8-5-9-14-18)22-21(24)26-16-17-11-6-4-7-12-17/h4,6-7,11-12,18-19H,2-3,5,8-10,13-16H2,1H3,(H,22,24)

InChI Key

DCLMTGLPLXDJBD-UHFFFAOYSA-N

Formula

C21H31NO4

SMILES

CCCCCOC(=O)C(NC(=O)OCc1ccccc1)C1CCCCC1

Molecular Weight¹

361.48

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.34	kJ/mol	Joback Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	4.595		Crippen Calculated Property
McVol	296.990	ml/mol	McGowan Calculated Property
Pc	1405.90	kPa	Joback Calculated Property
Inp	[2645.00; 2645.00]
Inp	2645.00		NIST
Inp	2645.00		NIST
Tboil	660.31	K	Relay (1.0) Calculated Property
Tfus	324.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.78; 1053.19]	J/mol×K	[892.48; 1110.41]
Cp,gas	979.78	J/mol×K	892.48	Joback Calculated Property
Cp,gas	995.95	J/mol×K	928.80	Joback Calculated Property
Cp,gas	1010.48	J/mol×K	965.12	Joback Calculated Property
Cp,gas	1023.42	J/mol×K	1001.44	Joback Calculated Property
Cp,gas	1034.82	J/mol×K	1037.76	Joback Calculated Property
Cp,gas	1044.73	J/mol×K	1074.09	Joback Calculated Property
Cp,gas	1053.19	J/mol×K	1110.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-benzyloxycarbonyl-, pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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