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

InChI

InChI=1S/C27H51NO4/c1-3-5-7-9-11-12-14-19-23-32-27(30)28-25(24-20-16-15-17-21-24)26(29)31-22-18-13-10-8-6-4-2/h24-25H,3-23H2,1-2H3,(H,28,30)

InChI Key

AFSURRMZTUEHPW-UHFFFAOYSA-N

Formula

C27H51NO4

SMILES

CCCCCCCCCCOC(=O)NC(C(=O)OCCCCCCCC)C1CCCCC1

Molecular Weight¹

453.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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°	67.84	kJ/mol	Joback Calculated Property
ΔvapH°	132.47	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.40		Relay (1.0) Calculated Property
logPoct/wat	7.706		Crippen Calculated Property
McVol	405.290	ml/mol	McGowan Calculated Property
Inp	[3078.00; 3078.00]
Inp	3078.00		NIST
Inp	3078.00		NIST
Tboil	682.19	K	Relay (1.0) Calculated Property
Tfus	329.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.68; 1451.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.93340e+01
Coefficient B			2.66344e+00
Coefficient C			-1.38860e-03
Coefficient D			2.15500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	588.68	J/mol×K	273.00	Calculated Property
Cp,gas	738.68	J/mol×K	353.78	Calculated Property
Cp,gas	873.54	J/mol×K	434.56	Calculated Property
Cp,gas	993.95	J/mol×K	515.33	Calculated Property
Cp,gas	1100.58	J/mol×K	596.11	Calculated Property
Cp,gas	1194.13	J/mol×K	676.89	Calculated Property
Cp,gas	1275.26	J/mol×K	757.67	Calculated Property
Cp,gas	1344.66	J/mol×K	838.44	Calculated Property
Cp,gas	1403.02	J/mol×K	919.22	Calculated Property
Cp,gas	1451.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, octyl 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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