Chemical Properties of Propranolol hydroxy, acetylated

InChI

InChI=1S/C22H27NO6/c1-14(2)23(15(3)24)12-18(28-16(4)25)13-27-21-10-11-22(29-17(5)26)20-9-7-6-8-19(20)21/h6-11,14,18H,12-13H2,1-5H3

InChI Key

BTJVNFSGLYHZFD-UHFFFAOYSA-N

Formula

C22H27NO6

SMILES

CC(=O)Oc1ccc(OCC(CN(C(C)=O)C(C)C)OC(C)=O)c2ccccc12

Molecular Weight¹

401.45

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[1000.20; 1054.35]	J/mol×K	[998.81; 1227.16]
Cp,gas	1000.20	J/mol×K	998.81	Joback Calculated Property
Cp,gas	1012.41	J/mol×K	1036.87	Joback Calculated Property
Cp,gas	1023.28	J/mol×K	1074.93	Joback Calculated Property
Cp,gas	1032.86	J/mol×K	1112.98	Joback Calculated Property
Cp,gas	1041.19	J/mol×K	1151.04	Joback Calculated Property
Cp,gas	1048.34	J/mol×K	1189.10	Joback Calculated Property
Cp,gas	1054.35	J/mol×K	1227.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propranolol hydroxy, acetylated.

Sources

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

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