Chemical Properties of Oxprenolol hydroxy , isomer I, acetylated

InChI

InChI=1S/C22H31NO6/c1-7-12-27-22-13-20(28-17(5)25)10-8-19(22)9-11-21(29-18(6)26)14-23(15(2)3)16(4)24/h7-8,10,13,15,21H,1,9,11-12,14H2,2-6H3

InChI Key

VTVKNVJHWVSJMJ-UHFFFAOYSA-N

Formula

C22H31NO6

SMILES

C=CCOc1cc(OC(C)=O)ccc1CCC(CN(C(C)=O)C(C)C)OC(C)=O

Molecular Weight¹

405.48

• 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°	-280.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-835.82	kJ/mol	Joback Calculated Property
ΔfusH°	49.05	kJ/mol	Joback Calculated Property
ΔvapH°	96.23	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	3.298		Crippen Calculated Property
McVol	325.080	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[3050.00; 3050.00]
Inp	3050.00		NIST
Inp	3050.00		NIST
Tboil	976.51	K	Joback Calculated Property
Tc	1196.89	K	Joback Calculated Property
Tfus	606.35	K	Joback Calculated Property
Vc	1.218	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1054.16; 1112.44]	J/mol×K	[976.51; 1196.89]
Cp,gas	1054.16	J/mol×K	976.51	Joback Calculated Property
Cp,gas	1067.52	J/mol×K	1013.24	Joback Calculated Property
Cp,gas	1079.38	J/mol×K	1049.97	Joback Calculated Property
Cp,gas	1089.78	J/mol×K	1086.70	Joback Calculated Property
Cp,gas	1098.74	J/mol×K	1123.43	Joback Calculated Property
Cp,gas	1106.28	J/mol×K	1160.16	Joback Calculated Property
Cp,gas	1112.44	J/mol×K	1196.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxprenolol hydroxy , isomer I, acetylated.

Sources

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

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