Chemical Properties of DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C13H23NO4/c1-5-7-8-9-10-18-12(15)11(3)14(4)13(16)17-6-2/h6,11H,2,5,7-10H2,1,3-4H3

InChI Key

MRLXPDBXNZOTAQ-UHFFFAOYSA-N

Formula

C13H23NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCCCC

Molecular Weight¹

257.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-779.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	79.96	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.710		Crippen Calculated Property
McVol	214.590	ml/mol	McGowan Calculated Property
Pc	1724.59	kPa	Joback Calculated Property
Inp	[1641.00; 1641.00]
Inp	1641.00		NIST
Inp	1641.00		NIST
Tboil	556.05	K	Relay (1.0) Calculated Property
Tc	724.09	K	Relay (1.0) Calculated Property
Tfus	249.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[319.32; 716.28]	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			2.65250e+01
Coefficient B			1.23906e+00
Coefficient C			-6.32900e-04
Coefficient D			8.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	319.32	J/mol×K	273.00	Calculated Property
Cp,gas	389.37	J/mol×K	353.78	Calculated Property
Cp,gas	452.31	J/mol×K	434.56	Calculated Property
Cp,gas	508.42	J/mol×K	515.33	Calculated Property
Cp,gas	557.95	J/mol×K	596.11	Calculated Property
Cp,gas	601.18	J/mol×K	676.89	Calculated Property
Cp,gas	638.36	J/mol×K	757.67	Calculated Property
Cp,gas	669.76	J/mol×K	838.44	Calculated Property
Cp,gas	695.65	J/mol×K	919.22	Calculated Property
Cp,gas	716.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, hexyl ester.

Sources

• Cheméo Relay (1.0)
• 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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