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

InChI

InChI=1S/C11H19NO4/c1-5-7-8-16-10(13)9(3)12(4)11(14)15-6-2/h6,9H,2,5,7-8H2,1,3-4H3

InChI Key

LHQDHKUIVPRYIM-UHFFFAOYSA-N

Formula

C11H19NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCC

Molecular Weight¹

229.27

• 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	-740.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.20	kJ/mol	Joback Calculated Property
ΔvapH°	73.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.75		Relay (1.0) Calculated Property
logPoct/wat	1.930		Crippen Calculated Property
McVol	186.410	ml/mol	McGowan Calculated Property
Pc	2036.39	kPa	Joback Calculated Property
Inp	[1453.00; 1453.00]
Inp	1453.00		NIST
Inp	1453.00		NIST
Tboil	533.20	K	Relay (1.0) Calculated Property
Tc	699.09	K	Relay (1.0) Calculated Property
Tfus	239.22	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	[276.89; 613.10]	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			2.83430e+01
Coefficient B			1.04906e+00
Coefficient C			-5.24100e-04
Coefficient D			5.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.89	J/mol×K	273.00	Calculated Property
Cp,gas	336.53	J/mol×K	353.78	Calculated Property
Cp,gas	390.15	J/mol×K	434.56	Calculated Property
Cp,gas	437.96	J/mol×K	515.33	Calculated Property
Cp,gas	480.13	J/mol×K	596.11	Calculated Property
Cp,gas	516.85	J/mol×K	676.89	Calculated Property
Cp,gas	548.33	J/mol×K	757.67	Calculated Property
Cp,gas	574.73	J/mol×K	838.44	Calculated Property
Cp,gas	596.26	J/mol×K	919.22	Calculated Property
Cp,gas	613.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, butyl 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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