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

InChI

InChI=1S/C16H29NO4/c1-5-7-8-9-10-11-12-13-21-15(18)14(3)17(4)16(19)20-6-2/h6,14H,2,5,7-13H2,1,3-4H3

InChI Key

NUMNLGDQAMCTMA-UHFFFAOYSA-N

Formula

C16H29NO4

SMILES

C=COC(=O)N(C)C(C)C(=O)OCCCCCCCCC

Molecular Weight¹

299.41

• 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	-839.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.15	kJ/mol	Joback Calculated Property
ΔvapH°	91.56	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	3.881		Crippen Calculated Property
McVol	256.860	ml/mol	McGowan Calculated Property
Pc	1375.82	kPa	Joback Calculated Property
Inp	[1941.00; 1941.00]
Inp	1941.00		NIST
Inp	1941.00		NIST
Tboil	584.91	K	Relay (1.0) Calculated Property
Tc	756.31	K	Relay (1.0) Calculated Property
Tfus	265.55	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	[382.96; 871.06]	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			2.37980e+01
Coefficient B			1.52406e+00
Coefficient C			-7.96100e-04
Coefficient D			1.19300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.96	J/mol×K	273.00	Calculated Property
Cp,gas	468.62	J/mol×K	353.78	Calculated Property
Cp,gas	545.54	J/mol×K	434.56	Calculated Property
Cp,gas	614.10	J/mol×K	515.33	Calculated Property
Cp,gas	674.69	J/mol×K	596.11	Calculated Property
Cp,gas	727.66	J/mol×K	676.89	Calculated Property
Cp,gas	773.41	J/mol×K	757.67	Calculated Property
Cp,gas	812.31	J/mol×K	838.44	Calculated Property
Cp,gas	844.73	J/mol×K	919.22	Calculated Property
Cp,gas	871.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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