Chemical Properties of D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester

InChI

InChI=1S/C29H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-24-33-29(32)25(3)30-28(31)27-22-20-26(21-23-27)19-7-5-2/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)

InChI Key

PTPLVYOEOJGLJE-UHFFFAOYSA-N

Formula

C29H49NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

459.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[1465.98; 1553.95]	J/mol×K	[1074.47; 1326.16]
Cp,gas	1465.98	J/mol×K	1074.47	Joback Calculated Property
Cp,gas	1484.75	J/mol×K	1116.42	Joback Calculated Property
Cp,gas	1501.71	J/mol×K	1158.37	Joback Calculated Property
Cp,gas	1516.99	J/mol×K	1200.31	Joback Calculated Property
Cp,gas	1530.71	J/mol×K	1242.26	Joback Calculated Property
Cp,gas	1542.99	J/mol×K	1284.21	Joback Calculated Property
Cp,gas	1553.95	J/mol×K	1326.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester.

Sources

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

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