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

Oxprenolol hydroxy - H2O, isomer II, acetylated

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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
Sources

Physical Properties

Property Value Unit Source
Δf 19.23 kJ/mol Joback Calculated Property
Δfgas -427.24 kJ/mol Joback Calculated Property
Δfus 44.81 kJ/mol Joback Calculated Property
Δvap 82.97 kJ/mol Joback Calculated Property
logPoct/wat 3.53 Crippen Calculated Property
Pc 1429.38 kPa Joback Calculated Property
Tboil 859.06 K Joback Calculated Property
Tc 1067.25 K Joback Calculated Property
Tfus 521.57 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 865.63 J/mol×K 859.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 3
=CH2 1
-CH2- 3
=C< (ring) 3
>N- 1
=CH- 3
-CH3 4

Similar Compounds

Oxprenolol hydroxy - H2O, isomer I, acetylated. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-(4-acetoxy-2-allylphenoxy)propane. Alprenolol desaminodihydroxy, acetylated. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-HO-aryl-), 3AC. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl)-isomer 2, acetylated. Propafenone hydroxy - H2O, acetylated. 1-(Prop-2-enyloxy)-2-(prop-2-enyl)-4,5-methylenedioxybenzene. R,S-N-methyl-1-(2-methoxyphenyl)-2-aminopropane-M (O-demethyl-methyoxy-), isomer 1, 2AC. Tert-butylhydroquinone, diacetate. 2,5-Dihydroxyacetophenone, diacetate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, II. 6-Methoxy thymyl tiglate. 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine-M (O-desmethyl-desamino-HO-), acetylated, I. 6-Methoxythymyl isobutyrate. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 2, methyl-acetylated.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.