Chemical Properties of Levobunolol - H2O, acetylated

InChI

InChI=1S/C20H27NO2/c1-15(22)21(20(2,3)4)14-6-5-9-16-10-7-12-18-17(16)11-8-13-19(18)23/h6-7,10,12,14H,5,8-9,11,13H2,1-4H3/b14-6+

InChI Key

ACEZFNAHCYRECY-NSIKDUERSA-N

Formula

C20H27NO2

SMILES

CC(=O)N(/C=C\CCc1cccc2c1CCCC2=O)C(C)(C)C

Molecular Weight¹

313.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[354.34; 898.46]	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			-8.74580e+01
Coefficient B			1.94718e+00
Coefficient C			-1.29602e-03
Coefficient D			3.34760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	354.34	J/mol×K	273.00	Calculated Property
Cp,gas	454.03	J/mol×K	353.78	Calculated Property
Cp,gas	541.43	J/mol×K	434.56	Calculated Property
Cp,gas	617.62	J/mol×K	515.33	Calculated Property
Cp,gas	683.65	J/mol×K	596.11	Calculated Property
Cp,gas	740.58	J/mol×K	676.89	Calculated Property
Cp,gas	789.47	J/mol×K	757.67	Calculated Property
Cp,gas	831.37	J/mol×K	838.44	Calculated Property
Cp,gas	867.35	J/mol×K	919.22	Calculated Property
Cp,gas	898.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Levobunolol - H2O, acetylated.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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