Chemical Properties of «beta»-Alanine, N-(2-chlorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H20ClNO3/c1-2-3-6-11-20-14(18)9-10-17-15(19)12-7-4-5-8-13(12)16/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,19)

InChI Key

MMWDKJCCDUDHPZ-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

CCCCCOC(=O)CCNC(=O)c1ccccc1Cl

Molecular Weight¹

297.78

• 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	[647.16; 713.66]	J/mol×K	[792.02; 1001.35]
Cp,gas	647.16	J/mol×K	792.02	Joback Calculated Property
Cp,gas	660.53	J/mol×K	826.91	Joback Calculated Property
Cp,gas	672.95	J/mol×K	861.80	Joback Calculated Property
Cp,gas	684.45	J/mol×K	896.69	Joback Calculated Property
Cp,gas	695.04	J/mol×K	931.58	Joback Calculated Property
Cp,gas	704.77	J/mol×K	966.46	Joback Calculated Property
Cp,gas	713.66	J/mol×K	1001.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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