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

InChI

InChI=1S/C25H47NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23-26(3)25(28)30-21-5-2/h5H,2,4,6-23H2,1,3H3

InChI Key

SPLCOMITFUNDHO-UHFFFAOYSA-N

Formula

C25H47NO4

SMILES

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

Molecular Weight¹

425.65

• 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°	70.98	kJ/mol	Joback Calculated Property
ΔvapH°	129.49	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) Calculated Property
logPoct/wat	7.045		Crippen Calculated Property
McVol	383.670	ml/mol	McGowan Calculated Property
Inp	[2730.00; 2730.00]
Inp	2730.00		NIST
Inp	2730.00		NIST
Tboil	674.24	K	Relay (1.0) Calculated Property
Tfus	290.74	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	[574.20; 1334.84]	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			1.72990e+01
Coefficient B			2.37314e+00
Coefficient C			-1.28250e-03
Coefficient D			2.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	574.20	J/mol×K	273.00	Calculated Property
Cp,gas	706.39	J/mol×K	353.78	Calculated Property
Cp,gas	824.99	J/mol×K	434.56	Calculated Property
Cp,gas	930.72	J/mol×K	515.33	Calculated Property
Cp,gas	1024.28	J/mol×K	596.11	Calculated Property
Cp,gas	1106.41	J/mol×K	676.89	Calculated Property
Cp,gas	1177.81	J/mol×K	757.67	Calculated Property
Cp,gas	1239.20	J/mol×K	838.44	Calculated Property
Cp,gas	1291.31	J/mol×K	919.22	Calculated Property
Cp,gas	1334.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

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