Chemical Properties of Propranolol hydroxy - H2O, isomer I, acetylated

InChI

InChI=1S/C20H23NO4/c1-14(2)21(15(3)22)12-7-13-24-20-18-9-6-5-8-17(18)10-11-19(20)25-16(4)23/h5-12,14H,13H2,1-4H3/b12-7-

InChI Key

IBKMDSUMGXQZFV-GHXNOFRVSA-N

Formula

C20H23NO4

SMILES

CC(=O)Oc1ccc2ccccc2c1OCC=CN(C(C)=O)C(C)C

Molecular Weight¹

341.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.67; 887.90]	J/mol×K	[881.36; 1102.59]
Cp,gas	816.67	J/mol×K	881.36	Joback Calculated Property
Cp,gas	830.86	J/mol×K	918.23	Joback Calculated Property
Cp,gas	844.03	J/mol×K	955.10	Joback Calculated Property
Cp,gas	856.24	J/mol×K	991.97	Joback Calculated Property
Cp,gas	867.58	J/mol×K	1028.85	Joback Calculated Property
Cp,gas	878.10	J/mol×K	1065.72	Joback Calculated Property
Cp,gas	887.90	J/mol×K	1102.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propranolol hydroxy - H2O, isomer I, acetylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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