Chemical Properties of «beta»-Alanine, N-(2-bromobenzoyl)-, heptyl ester

InChI

InChI=1S/C17H24BrNO3/c1-2-3-4-5-8-13-22-16(20)11-12-19-17(21)14-9-6-7-10-15(14)18/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,19,21)

InChI Key

LSDYNHDCMSGVST-UHFFFAOYSA-N

Formula

C17H24BrNO3

SMILES

CCCCCCCOC(=O)CCNC(=O)c1ccccc1Br

Molecular Weight¹

370.28

• 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_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, 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	[771.72; 838.55]	J/mol×K	[866.51; 1079.95]
Cp,gas	771.72	J/mol×K	866.51	Joback Calculated Property
Cp,gas	785.21	J/mol×K	902.08	Joback Calculated Property
Cp,gas	797.70	J/mol×K	937.66	Joback Calculated Property
Cp,gas	809.23	J/mol×K	973.23	Joback Calculated Property
Cp,gas	819.86	J/mol×K	1008.81	Joback Calculated Property
Cp,gas	829.61	J/mol×K	1044.38	Joback Calculated Property
Cp,gas	838.55	J/mol×K	1079.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(2-bromobenzoyl)-, heptyl ester.

Sources

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

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