Chemical Properties of Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C29H55NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-28(31)27(26-21-18-17-19-22-26)30-29(32)34-24-25(2)3/h25-27H,4-24H2,1-3H3,(H,30,32)

InChI Key

OZSTZPBIPLQZJS-UHFFFAOYSA-N

Formula

C29H55NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)OCC(C)C)C1CCCCC1

Molecular Weight¹

481.75

• 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).
• 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°	69.49	kJ/mol	Joback Calculated Property
log10WS	-8.07		Relay (1.0) Calculated Property
logPoct/wat	8.342		Crippen Calculated Property
McVol	433.470	ml/mol	McGowan Calculated Property
Inp	[3154.00; 3154.00]
Inp	3154.00		NIST
Inp	3154.00		NIST
Tboil	697.90	K	Relay (1.0) Calculated Property
Tfus	334.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.79; 1554.73]	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			-4.28340e+01
Coefficient B			2.85936e+00
Coefficient C			-1.50060e-03
Coefficient D			2.38800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	630.79	J/mol×K	273.00	Calculated Property
Cp,gas	791.50	J/mol×K	353.78	Calculated Property
Cp,gas	935.94	J/mol×K	434.56	Calculated Property
Cp,gas	1064.86	J/mol×K	515.33	Calculated Property
Cp,gas	1179.01	J/mol×K	596.11	Calculated Property
Cp,gas	1279.15	J/mol×K	676.89	Calculated Property
Cp,gas	1366.04	J/mol×K	757.67	Calculated Property
Cp,gas	1440.43	J/mol×K	838.44	Calculated Property
Cp,gas	1503.07	J/mol×K	919.22	Calculated Property
Cp,gas	1554.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, hexadecyl 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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