Chemical Properties of Toliprolol desamino hydroxy, acetylated

InChI

InChI=1S/C14H18O5/c1-10-5-4-6-13(7-10)18-9-14(19-12(3)16)8-17-11(2)15/h4-7,14H,8-9H2,1-3H3

InChI Key

YBZAUDYBEYBZHG-UHFFFAOYSA-N

Formula

C14H18O5

SMILES

CC(=O)OCC(COc1cccc(C)c1)OC(C)=O

Molecular Weight¹

266.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[557.66; 631.35]	J/mol×K	[690.00; 893.75]
Cp,gas	557.66	J/mol×K	690.00	Joback Calculated Property
Cp,gas	572.46	J/mol×K	723.96	Joback Calculated Property
Cp,gas	586.25	J/mol×K	757.92	Joback Calculated Property
Cp,gas	599.04	J/mol×K	791.87	Joback Calculated Property
Cp,gas	610.82	J/mol×K	825.83	Joback Calculated Property
Cp,gas	621.59	J/mol×K	859.79	Joback Calculated Property
Cp,gas	631.35	J/mol×K	893.75	Joback Calculated Property
η	[0.0000683; 0.0014337]	Pa×s	[378.37; 690.00]
η	0.0014337	Pa×s	378.37	Joback Calculated Property
η	0.0006356	Pa×s	430.31	Joback Calculated Property
η	0.0003357	Pa×s	482.25	Joback Calculated Property
η	0.0002008	Pa×s	534.18	Joback Calculated Property
η	0.0001315	Pa×s	586.12	Joback Calculated Property
η	0.0000923	Pa×s	638.06	Joback Calculated Property
η	0.0000683	Pa×s	690.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol desamino hydroxy, 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.
These property values are available through the Cheméo API. A free account gives you an access key.