Chemical Properties of Metipranolol, desamino hydroxy, acetylated

InChI

InChI=1S/C18H24O7/c1-10-7-17(11(2)12(3)18(10)25-15(6)21)23-9-16(24-14(5)20)8-22-13(4)19/h7,16H,8-9H2,1-6H3

InChI Key

GCUVLNNODRMMBF-UHFFFAOYSA-N

Formula

C18H24O7

SMILES

CC(=O)OCC(COc1cc(C)c(OC(C)=O)c(C)c1C)OC(C)=O

Molecular Weight¹

352.38

• 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	[404.38; 860.64]	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			1.09862e+02
Coefficient B			1.17532e+00
Coefficient C			-3.26840e-04
Coefficient D			-9.77000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.38	J/mol×K	273.00	Calculated Property
Cp,gas	480.43	J/mol×K	353.78	Calculated Property
Cp,gas	550.87	J/mol×K	434.56	Calculated Property
Cp,gas	615.37	J/mol×K	515.33	Calculated Property
Cp,gas	673.65	J/mol×K	596.11	Calculated Property
Cp,gas	725.37	J/mol×K	676.89	Calculated Property
Cp,gas	770.24	J/mol×K	757.67	Calculated Property
Cp,gas	807.95	J/mol×K	838.44	Calculated Property
Cp,gas	838.19	J/mol×K	919.22	Calculated Property
Cp,gas	860.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003339; 0.0000442]	Pa×s	[503.34; 742.08]	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			-1.42883e+01
Coefficient B			3.16277e+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.			503.34
Temperature range, max.			742.08
η	0.0003339	Pa×s	503.34	Calculated Property
η	0.0002438	Pa×s	529.87	Calculated Property
η	0.0001834	Pa×s	556.39	Calculated Property
η	0.0001416	Pa×s	582.92	Calculated Property
η	0.0001118	Pa×s	609.45	Calculated Property
η	0.0000900	Pa×s	635.97	Calculated Property
η	0.0000738	Pa×s	662.50	Calculated Property
η	0.0000614	Pa×s	689.02	Calculated Property
η	0.0000518	Pa×s	715.55	Calculated Property
η	0.0000442	Pa×s	742.08	Calculated Property

Similar Compounds

Find more compounds similar to Metipranolol, 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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