Chemical Properties of Toliprolol - H2O, acetylated

InChI

InChI=1S/C15H21NO2/c1-12(2)16(14(4)17)9-6-10-18-15-8-5-7-13(3)11-15/h5-9,11-12H,10H2,1-4H3/b9-6+

InChI Key

NARJAWFSQHVZJD-RMKNXTFCSA-N

Formula

C15H21NO2

SMILES

CC(=O)N(C=CCOc1cccc(C)c1)C(C)C

Molecular Weight¹

247.33

• 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	[563.94; 649.56]	J/mol×K	[666.71; 873.77]
Cp,gas	563.94	J/mol×K	666.71	Joback Calculated Property
Cp,gas	580.62	J/mol×K	701.22	Joback Calculated Property
Cp,gas	596.27	J/mol×K	735.73	Joback Calculated Property
Cp,gas	610.94	J/mol×K	770.24	Joback Calculated Property
Cp,gas	624.69	J/mol×K	804.75	Joback Calculated Property
Cp,gas	637.54	J/mol×K	839.26	Joback Calculated Property
Cp,gas	649.56	J/mol×K	873.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol - H2O, acetylated.

Sources

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

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