Chemical Properties of D-Alanine, N-(2-chlorobenzoyl)-, pentyl ester

InChI

InChI=1S/C15H20ClNO3/c1-3-4-7-10-20-15(19)11(2)17-14(18)12-8-5-6-9-13(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)

InChI Key

FYPGMHRRIZGXLQ-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

CCCCCOC(=O)C(C)NC(=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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.52; 714.45]	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			1.24140e+01
Coefficient B			1.29654e+00
Coefficient C			-7.15260e-04
Coefficient D			1.20760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	315.52	J/mol×K	273.00	Calculated Property
Cp,gas	386.93	J/mol×K	353.78	Calculated Property
Cp,gas	450.67	J/mol×K	434.56	Calculated Property
Cp,gas	507.14	J/mol×K	515.33	Calculated Property
Cp,gas	556.71	J/mol×K	596.11	Calculated Property
Cp,gas	599.76	J/mol×K	676.89	Calculated Property
Cp,gas	636.68	J/mol×K	757.67	Calculated Property
Cp,gas	667.85	J/mol×K	838.44	Calculated Property
Cp,gas	693.65	J/mol×K	919.22	Calculated Property
Cp,gas	714.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2-chlorobenzoyl)-, pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.