Chemical Properties of 2-Aminopent-4-enoic acid, N-decyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C27H51NO4/c1-4-7-9-11-13-15-17-18-20-23-31-26(29)25(22-6-3)28-27(30)32-24-21-19-16-14-12-10-8-5-2/h6,25H,3-5,7-24H2,1-2H3,(H,28,30)

InChI Key

WXJKMFVQYRXKDL-UHFFFAOYSA-N

Formula

C27H51NO4

SMILES

C=CCC(NC(=O)OCCCCCCCCCC)C(=O)OCCCCCCCCCCC

Molecular Weight¹

453.71

• 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	-1113.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.72	kJ/mol	Joback Calculated Property
ΔvapH°	130.93	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	7.872		Crippen Calculated Property
McVol	411.850	ml/mol	McGowan Calculated Property
Pc	716.07	kPa	Joback Calculated Property
Inp	[3033.00; 3033.00]
Inp	3033.00		NIST
Inp	3033.00		NIST
Tboil	679.23	K	Relay (1.0) Calculated Property
Tc	872.07	K	Relay (1.0) Calculated Property
Tfus	303.58	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	[616.99; 1437.42]	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			2.32800e+01
Coefficient B			2.52134e+00
Coefficient C			-1.33050e-03
Coefficient D			2.23300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	616.99	J/mol×K	273.00	Calculated Property
Cp,gas	758.64	J/mol×K	353.78	Calculated Property
Cp,gas	886.02	J/mol×K	434.56	Calculated Property
Cp,gas	999.83	J/mol×K	515.33	Calculated Property
Cp,gas	1100.79	J/mol×K	596.11	Calculated Property
Cp,gas	1189.59	J/mol×K	676.89	Calculated Property
Cp,gas	1266.95	J/mol×K	757.67	Calculated Property
Cp,gas	1333.57	J/mol×K	838.44	Calculated Property
Cp,gas	1390.16	J/mol×K	919.22	Calculated Property
Cp,gas	1437.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Aminopent-4-enoic acid, N-decyloxycarbonyl-, undecyl 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.
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