Chemical Properties of Metipranolol desacetyl - H2O, acetylated

InChI

InChI=1S/C19H27NO4/c1-12(2)20(16(6)21)9-8-10-23-18-11-13(3)19(24-17(7)22)15(5)14(18)4/h8-9,11-12H,10H2,1-7H3/b9-8-

InChI Key

PFZRDNUAGKEPQX-CMDGGOBGSA-N

Formula

C19H27NO4

SMILES

CC(=O)Oc1c(C)cc(OC/C=C/N(C(C)=O)C(C)C)c(C)c1C

Molecular Weight¹

333.43

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.08; 903.54]	J/mol×K	[831.59; 1037.38]
Cp,gas	827.08	J/mol×K	831.59	Joback Calculated Property
Cp,gas	842.55	J/mol×K	865.89	Joback Calculated Property
Cp,gas	856.89	J/mol×K	900.19	Joback Calculated Property
Cp,gas	870.14	J/mol×K	934.48	Joback Calculated Property
Cp,gas	882.31	J/mol×K	968.78	Joback Calculated Property
Cp,gas	893.44	J/mol×K	1003.08	Joback Calculated Property
Cp,gas	903.54	J/mol×K	1037.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Metipranolol desacetyl - 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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