Chemical Properties of Glycine, N-methyl-N-allyloxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C23H43NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27-22(25)21-24(3)23(26)28-19-5-2/h5H,2,4,6-21H2,1,3H3

InChI Key

JXSFVUXQEBXUEB-UHFFFAOYSA-N

Formula

C23H43NO4

SMILES

C=CCOC(=O)N(C)CC(=O)OCCCCCCCCCCCCCCCC

Molecular Weight¹

397.59

• 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°	65.81	kJ/mol	Joback Calculated Property
ΔvapH°	121.63	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	6.265		Crippen Calculated Property
McVol	355.490	ml/mol	McGowan Calculated Property
Inp	[2537.00; 2537.00]
Inp	2537.00		NIST
Inp	2537.00		NIST
Tboil	660.98	K	Relay (1.0) Calculated Property
Tfus	285.26	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	[531.77; 1231.66]	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			1.91170e+01
Coefficient B			2.18314e+00
Coefficient C			-1.17370e-03
Coefficient D			2.03100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	531.77	J/mol×K	273.00	Calculated Property
Cp,gas	653.56	J/mol×K	353.78	Calculated Property
Cp,gas	762.84	J/mol×K	434.56	Calculated Property
Cp,gas	860.26	J/mol×K	515.33	Calculated Property
Cp,gas	946.46	J/mol×K	596.11	Calculated Property
Cp,gas	1022.08	J/mol×K	676.89	Calculated Property
Cp,gas	1087.77	J/mol×K	757.67	Calculated Property
Cp,gas	1144.17	J/mol×K	838.44	Calculated Property
Cp,gas	1191.92	J/mol×K	919.22	Calculated Property
Cp,gas	1231.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-allyloxycarbonyl-, 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.
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