Chemical Properties of Alprenolol desaminohydroxy, acetylated

InChI

InChI=1S/C16H20O5/c1-4-7-14-8-5-6-9-16(14)20-11-15(21-13(3)18)10-19-12(2)17/h4-6,8-9,15H,1,7,10-11H2,2-3H3

InChI Key

HPBBAFJJVJUGNE-UHFFFAOYSA-N

Formula

C16H20O5

SMILES

C=CCc1ccccc1OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

292.33

• 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	[328.15; 729.96]	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			4.03830e+01
Coefficient B			1.19854e+00
Coefficient C			-5.36660e-04
Coefficient D			2.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	328.15	J/mol×K	273.00	Calculated Property
Cp,gas	398.46	J/mol×K	353.78	Calculated Property
Cp,gas	462.15	J/mol×K	434.56	Calculated Property
Cp,gas	519.30	J/mol×K	515.33	Calculated Property
Cp,gas	570.01	J/mol×K	596.11	Calculated Property
Cp,gas	614.37	J/mol×K	676.89	Calculated Property
Cp,gas	652.45	J/mol×K	757.67	Calculated Property
Cp,gas	684.35	J/mol×K	838.44	Calculated Property
Cp,gas	710.16	J/mol×K	919.22	Calculated Property
Cp,gas	729.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011621; 0.0000852]	Pa×s	[399.15; 654.41]	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			-1.34551e+01
Coefficient B			2.67335e+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.			399.15
Temperature range, max.			654.41
η	0.0011621	Pa×s	399.15	Calculated Property
η	0.0007452	Pa×s	427.51	Calculated Property
η	0.0005050	Pa×s	455.87	Calculated Property
η	0.0003582	Pa×s	484.24	Calculated Property
η	0.0002639	Pa×s	512.60	Calculated Property
η	0.0002008	Pa×s	540.96	Calculated Property
η	0.0001570	Pa×s	569.32	Calculated Property
η	0.0001256	Pa×s	597.69	Calculated Property
η	0.0001026	Pa×s	626.05	Calculated Property
η	0.0000852	Pa×s	654.41	Calculated Property

Similar Compounds

Find more compounds similar to Alprenolol desaminohydroxy, 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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