Chemical Properties of Metoprolol - H2O, acetylated

InChI

InChI=1S/C17H25NO3/c1-14(2)18(15(3)19)11-5-12-21-17-8-6-16(7-9-17)10-13-20-4/h5-9,11,14H,10,12-13H2,1-4H3/b11-5+

InChI Key

ANCVPHJOUAZRNS-VZUCSPMQSA-N

Formula

C17H25NO3

SMILES

COCCc1ccc(OCC=CN(C(C)=O)C(C)C)cc1

Molecular Weight¹

291.39

• 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°	44.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.70	kJ/mol	Joback Calculated Property
ΔfusH°	37.11	kJ/mol	Joback Calculated Property
ΔvapH°	69.55	kJ/mol	Joback Calculated Property
log10WS	-3.64		Crippen Calculated Property
logPoct/wat	3.025		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2330.00; 2330.00]
Inp	2330.00		NIST
Inp	2330.00		NIST
Tboil	734.89	K	Joback Calculated Property
Tc	935.72	K	Joback Calculated Property
Tfus	427.07	K	Joback Calculated Property
Vc	0.913	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[701.65; 788.04]	J/mol×K	[734.89; 935.72]
Cp,gas	701.65	J/mol×K	734.89	Joback Calculated Property
Cp,gas	718.52	J/mol×K	768.36	Joback Calculated Property
Cp,gas	734.35	J/mol×K	801.83	Joback Calculated Property
Cp,gas	749.18	J/mol×K	835.31	Joback Calculated Property
Cp,gas	763.05	J/mol×K	868.78	Joback Calculated Property
Cp,gas	775.99	J/mol×K	902.25	Joback Calculated Property
Cp,gas	788.04	J/mol×K	935.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Metoprolol - H2O, acetylated.

Sources

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

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