Chemical Properties of Oxprenolol desamino hydroxy, acetylated

InChI

InChI=1S/C17H22O5/c1-4-11-20-17-8-6-5-7-15(17)9-10-16(22-14(3)19)12-21-13(2)18/h4-8,16H,1,9-12H2,2-3H3

InChI Key

JBRUEXJSXJGHPC-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

C=CCOc1ccccc1CCC(COC(C)=O)OC(C)=O

Molecular Weight¹

306.35

• 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	[349.37; 781.55]	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			3.94740e+01
Coefficient B			1.29354e+00
Coefficient C			-5.91060e-04
Coefficient D			3.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.37	J/mol×K	273.00	Calculated Property
Cp,gas	424.88	J/mol×K	353.78	Calculated Property
Cp,gas	493.22	J/mol×K	434.56	Calculated Property
Cp,gas	554.53	J/mol×K	515.33	Calculated Property
Cp,gas	608.92	J/mol×K	596.11	Calculated Property
Cp,gas	656.53	J/mol×K	676.89	Calculated Property
Cp,gas	697.47	J/mol×K	757.67	Calculated Property
Cp,gas	731.87	J/mol×K	838.44	Calculated Property
Cp,gas	759.85	J/mol×K	919.22	Calculated Property
Cp,gas	781.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010446; 0.0000770]	Pa×s	[410.42; 669.26]	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			-1.36072e+01
Coefficient B			2.76751e+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.			410.42
Temperature range, max.			669.26
η	0.0010446	Pa×s	410.42	Calculated Property
η	0.0006717	Pa×s	439.18	Calculated Property
η	0.0004560	Pa×s	467.94	Calculated Property
η	0.0003238	Pa×s	496.70	Calculated Property
η	0.0002387	Pa×s	525.46	Calculated Property
η	0.0001816	Pa×s	554.22	Calculated Property
η	0.0001419	Pa×s	582.98	Calculated Property
η	0.0001135	Pa×s	611.74	Calculated Property
η	0.0000927	Pa×s	640.50	Calculated Property
η	0.0000770	Pa×s	669.26	Calculated Property

Similar Compounds

Find more compounds similar to Oxprenolol 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

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