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

InChI

InChI=1S/C15H27NO4/c1-5-7-8-9-10-11-12-20-14(17)13(3)16(4)15(18)19-6-2/h6,13H,2,5,7-12H2,1,3-4H3

InChI Key

NNVWRHAWUBJHQM-UHFFFAOYSA-N

Formula

C15H27NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCCCCCC

Molecular Weight¹

285.38

• 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	-818.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	87.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	3.490		Crippen Calculated Property
McVol	242.770	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Inp	[1843.00; 1843.00]
Inp	1843.00		NIST
Inp	1843.00		NIST
Tboil	575.87	K	Relay (1.0) Calculated Property
Tc	745.89	K	Relay (1.0) Calculated Property
Tfus	259.73	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	[361.75; 819.47]	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			2.47070e+01
Coefficient B			1.42906e+00
Coefficient C			-7.41700e-04
Coefficient D			1.07400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.75	J/mol×K	273.00	Calculated Property
Cp,gas	442.20	J/mol×K	353.78	Calculated Property
Cp,gas	514.46	J/mol×K	434.56	Calculated Property
Cp,gas	578.88	J/mol×K	515.33	Calculated Property
Cp,gas	635.77	J/mol×K	596.11	Calculated Property
Cp,gas	685.50	J/mol×K	676.89	Calculated Property
Cp,gas	728.39	J/mol×K	757.67	Calculated Property
Cp,gas	764.79	J/mol×K	838.44	Calculated Property
Cp,gas	795.04	J/mol×K	919.22	Calculated Property
Cp,gas	819.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

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