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

InChI

InChI=1S/C29H55NO4/c1-4-7-9-11-13-15-16-17-19-20-22-25-33-28(31)27(24-6-3)30-29(32)34-26-23-21-18-14-12-10-8-5-2/h6,27H,3-5,7-26H2,1-2H3,(H,30,32)

InChI Key

YNEXQKQSBWKRJE-UHFFFAOYSA-N

Formula

C29H55NO4

SMILES

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

Molecular Weight¹

481.75

• 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	-1154.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.74	kJ/mol	Joback Calculated Property
ΔvapH°	137.19	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.00		Relay (1.0) Calculated Property
logPoct/wat	8.652		Crippen Calculated Property
McVol	440.030	ml/mol	McGowan Calculated Property
Pc	675.70	kPa	Joback Calculated Property
Inp	[3240.00; 3240.00]
Inp	3240.00		NIST
Inp	3240.00		NIST
Tboil	692.41	K	Relay (1.0) Calculated Property
Tc	881.26	K	Relay (1.0) Calculated Property
Tfus	313.03	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1574.14; 1674.05]	J/mol×K	[1061.91; 1332.60]
Cp,gas	1574.14	J/mol×K	1061.91	Joback Calculated Property
Cp,gas	1596.40	J/mol×K	1107.03	Joback Calculated Property
Cp,gas	1616.24	J/mol×K	1152.14	Joback Calculated Property
Cp,gas	1633.80	J/mol×K	1197.26	Joback Calculated Property
Cp,gas	1649.21	J/mol×K	1242.37	Joback Calculated Property
Cp,gas	1662.58	J/mol×K	1287.49	Joback Calculated Property
Cp,gas	1674.05	J/mol×K	1332.60	Joback Calculated Property

Similar Compounds

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