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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[286.50; 687.13]	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			-2.40490e+01
Coefficient B			1.34908e+00
Coefficient C			-8.26260e-04
Coefficient D			1.88360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.50	J/mol×K	273.00	Calculated Property
Cp,gas	358.15	J/mol×K	353.78	Calculated Property
Cp,gas	421.63	J/mol×K	434.56	Calculated Property
Cp,gas	477.53	J/mol×K	515.33	Calculated Property
Cp,gas	526.44	J/mol×K	596.11	Calculated Property
Cp,gas	568.97	J/mol×K	676.89	Calculated Property
Cp,gas	605.71	J/mol×K	757.67	Calculated Property
Cp,gas	637.25	J/mol×K	838.44	Calculated Property
Cp,gas	664.19	J/mol×K	919.22	Calculated Property
Cp,gas	687.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol - 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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