Chemical Properties of Propranolol desamino hydroxy, acetylated

InChI

InChI=1S/C17H18O5/c1-12(18)20-10-15(22-13(2)19)11-21-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,15H,10-11H2,1-2H3

InChI Key

FUSSNXRQRFNZPC-UHFFFAOYSA-N

Formula

C17H18O5

SMILES

CC(=O)OCC(COc1cccc2ccccc12)OC(C)=O

Molecular Weight¹

302.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-273.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.18	kJ/mol	Joback Calculated Property
ΔfusH°	33.70	kJ/mol	Joback Calculated Property
ΔvapH°	78.35	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	2.713		Crippen Calculated Property
McVol	227.920	ml/mol	McGowan Calculated Property
Pc	2054.89	kPa	Joback Calculated Property
Inp	[2195.00; 2195.00]
Inp	2195.00		NIST
Inp	2195.00		NIST
Tboil	813.56	K	Joback Calculated Property
Tc	1034.09	K	Joback Calculated Property
Tfus	504.54	K	Joback Calculated Property
Vc	0.862	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.61; 725.77]	J/mol×K	[813.56; 1034.09]
Cp,gas	660.61	J/mol×K	813.56	Joback Calculated Property
Cp,gas	674.12	J/mol×K	850.32	Joback Calculated Property
Cp,gas	686.53	J/mol×K	887.07	Joback Calculated Property
Cp,gas	697.88	J/mol×K	923.83	Joback Calculated Property
Cp,gas	708.18	J/mol×K	960.58	Joback Calculated Property
Cp,gas	717.47	J/mol×K	997.34	Joback Calculated Property
Cp,gas	725.77	J/mol×K	1034.09	Joback Calculated Property
η	[0.0001103; 0.0007203]	Pa×s	[504.54; 813.56]
η	0.0007203	Pa×s	504.54	Joback Calculated Property
η	0.0004558	Pa×s	556.04	Joback Calculated Property
η	0.0003117	Pa×s	607.55	Joback Calculated Property
η	0.0002262	Pa×s	659.05	Joback Calculated Property
η	0.0001720	Pa×s	710.55	Joback Calculated Property
η	0.0001357	Pa×s	762.06	Joback Calculated Property
η	0.0001103	Pa×s	813.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propranolol desamino hydroxy, acetylated.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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