Chemical Properties of D-Alanine, N-(4-anisoyl)-, hexadecyl ester

InChI

InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)23(2)28-26(29)24-18-20-25(31-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)

InChI Key

UIYHJVULRVFZSW-UHFFFAOYSA-N

Formula

C27H45NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1

Molecular Weight¹

447.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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 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	[572.08; 1343.78]	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			1.41150e+01
Coefficient B			2.36656e+00
Coefficient C			-1.23666e-03
Coefficient D			1.99760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	572.08	J/mol×K	273.00	Calculated Property
Cp,gas	705.42	J/mol×K	353.78	Calculated Property
Cp,gas	825.38	J/mol×K	434.56	Calculated Property
Cp,gas	932.60	J/mol×K	515.33	Calculated Property
Cp,gas	1027.72	J/mol×K	596.11	Calculated Property
Cp,gas	1111.35	J/mol×K	676.89	Calculated Property
Cp,gas	1184.15	J/mol×K	757.67	Calculated Property
Cp,gas	1246.73	J/mol×K	838.44	Calculated Property
Cp,gas	1299.73	J/mol×K	919.22	Calculated Property
Cp,gas	1343.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-anisoyl)-, hexadecyl 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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