Chemical Properties of Oxprenolol hydroxy - H2O, isomer II, acetylated

InChI

InChI=1S/C20H27NO4/c1-6-13-24-20-11-10-19(25-17(5)23)14-18(20)9-7-8-12-21(15(2)3)16(4)22/h6-8,10-11,14-15H,1,9,12-13H2,2-5H3/b8-7+

InChI Key

ZELDAZQWTKTVKR-BQYQJAHWSA-N

Formula

C20H27NO4

SMILES

C=CCOc1ccc(OC(C)=O)cc1CC=CCN(C(C)=O)C(C)C

Molecular Weight¹

345.43

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7994		Relay (1.0) Calculated Property
ΔfG°	19.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-624.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.81	kJ/mol	Joback Calculated Property
ΔvapH°	102.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.58	eV	Relay (1.0) Calculated Property
log10WS	-3.22		Relay (1.0) Calculated Property
logPoct/wat	3.532		Crippen Calculated Property
McVol	285.160	ml/mol	McGowan Calculated Property
Pc	1429.38	kPa	Joback Calculated Property
Inp	[2570.00; 2570.00]
Inp	2570.00		NIST
Inp	2570.00		NIST
Tboil	665.37	K	Relay (1.0) Calculated Property
Tc	856.20	K	Relay (1.0) Calculated Property
Tfus	343.02	K	Relay (1.0) Calculated Property
Vc	0.980	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.63; 941.79]	J/mol×K	[859.06; 1067.25]
Cp,gas	865.63	J/mol×K	859.06	Joback Calculated Property
Cp,gas	880.89	J/mol×K	893.76	Joback Calculated Property
Cp,gas	895.07	J/mol×K	928.46	Joback Calculated Property
Cp,gas	908.20	J/mol×K	963.16	Joback Calculated Property
Cp,gas	920.33	J/mol×K	997.86	Joback Calculated Property
Cp,gas	931.52	J/mol×K	1032.56	Joback Calculated Property
Cp,gas	941.79	J/mol×K	1067.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxprenolol hydroxy - H2O, isomer II, acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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