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

InChI

InChI=1S/C13H23NO4/c1-4-6-7-8-10-17-12(15)11-14(3)13(16)18-9-5-2/h5H,2,4,6-11H2,1,3H3

InChI Key

ASYSDVDYDZMFFZ-UHFFFAOYSA-N

Formula

C13H23NO4

SMILES

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

Molecular Weight¹

257.33

• 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°	39.90	kJ/mol	Joback Calculated Property
ΔvapH°	82.47	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.364		Crippen Calculated Property
McVol	214.590	ml/mol	McGowan Calculated Property
Inp	[1673.00; 1673.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Tboil	582.08	K	Relay (1.0) Calculated Property
Tfus	237.75	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.17; 653.00]	J/mol×K	[622.60; 795.46]
Cp,gas	572.17	J/mol×K	622.60	Joback Calculated Property
Cp,gas	587.53	J/mol×K	651.41	Joback Calculated Property
Cp,gas	602.12	J/mol×K	680.22	Joback Calculated Property
Cp,gas	615.95	J/mol×K	709.03	Joback Calculated Property
Cp,gas	629.04	J/mol×K	737.84	Joback Calculated Property
Cp,gas	641.38	J/mol×K	766.65	Joback Calculated Property
Cp,gas	653.00	J/mol×K	795.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, N-methyl-N-allyloxycarbonyl-, hexyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.