Chemical Properties of Propranolol - H2O, acetylated

InChI

InChI=1S/C18H21NO2/c1-14(2)19(15(3)20)12-7-13-21-18-11-6-9-16-8-4-5-10-17(16)18/h4-12,14H,13H2,1-3H3/b12-7-

InChI Key

XQYBCWDGDFEQAV-GHXNOFRVSA-N

Formula

C18H21NO2

SMILES

CC(=O)N(C=CCOc1cccc2ccccc12)C(C)C

Molecular Weight¹

283.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	264.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.05	kJ/mol	Joback Calculated Property
ΔfusH°	35.53	kJ/mol	Joback Calculated Property
ΔvapH°	71.01	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	3.989		Crippen Calculated Property
McVol	234.380	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	754.33	K	Joback Calculated Property
Tc	974.69	K	Joback Calculated Property
Tfus	448.81	K	Joback Calculated Property
Vc	0.874	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.78; 743.55]	J/mol×K	[754.33; 974.69]
Cp,gas	661.78	J/mol×K	754.33	Joback Calculated Property
Cp,gas	677.82	J/mol×K	791.06	Joback Calculated Property
Cp,gas	692.77	J/mol×K	827.78	Joback Calculated Property
Cp,gas	706.73	J/mol×K	864.51	Joback Calculated Property
Cp,gas	719.79	J/mol×K	901.24	Joback Calculated Property
Cp,gas	732.03	J/mol×K	937.97	Joback Calculated Property
Cp,gas	743.55	J/mol×K	974.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propranolol - H2O, acetylated.

Sources

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

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