Chemical Properties of Toliprolol desamino dihydroxy, acetylated

InChI

InChI=1S/C16H20O7/c1-10-7-14(5-6-16(10)23-13(4)19)21-9-15(22-12(3)18)8-20-11(2)17/h5-7,15H,8-9H2,1-4H3

InChI Key

STFZMNIVKHKFDP-UHFFFAOYSA-N

Formula

C16H20O7

SMILES

CC(=O)OCC(COc1ccc(OC(C)=O)c(C)c1)OC(C)=O

Molecular Weight¹

324.33

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[356.85; 763.54]	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			8.30820e+01
Coefficient B			1.10428e+00
Coefficient C			-3.52120e-04
Coefficient D			-7.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	356.85	J/mol×K	273.00	Calculated Property
Cp,gas	426.51	J/mol×K	353.78	Calculated Property
Cp,gas	490.58	J/mol×K	434.56	Calculated Property
Cp,gas	548.83	J/mol×K	515.33	Calculated Property
Cp,gas	601.04	J/mol×K	596.11	Calculated Property
Cp,gas	646.99	J/mol×K	676.89	Calculated Property
Cp,gas	686.43	J/mol×K	757.67	Calculated Property
Cp,gas	719.16	J/mol×K	838.44	Calculated Property
Cp,gas	744.94	J/mol×K	919.22	Calculated Property
Cp,gas	763.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006052; 0.0000566]	Pa×s	[455.76; 702.36]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.41612e+01
Coefficient B			3.07697e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			455.76
Temperature range, max.			702.36
η	0.0006052	Pa×s	455.76	Calculated Property
η	0.0004127	Pa×s	483.16	Calculated Property
η	0.0002932	Pa×s	510.56	Calculated Property
η	0.0002157	Pa×s	537.96	Calculated Property
η	0.0001635	Pa×s	565.36	Calculated Property
η	0.0001271	Pa×s	592.76	Calculated Property
η	0.0001011	Pa×s	620.16	Calculated Property
η	0.0000819	Pa×s	647.56	Calculated Property
η	0.0000676	Pa×s	674.96	Calculated Property
η	0.0000566	Pa×s	702.36	Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol desamino dihydroxy, 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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