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

Oxprenolol hydroxy - H2O, isomer I, acetylated

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InChI
InChI=1S/C20H27NO4/c1-6-13-24-20-14-19(25-17(5)23)11-10-18(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
CQZOXFIXFNDQSM-BQYQJAHWSA-N
Formula
C20H27NO4
SMILES
C=CCOc1cc(OC(C)=O)ccc1CC=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
>N- 1
=C< (ring) 3
-CH2- 3
=CH- 3
-CH3 4

Similar Compounds

Oxprenolol hydroxy - H2O, isomer II, acetylated. Acetyl eugenol. Ethylamphetamine-M (HO-methoxy-), 2AC. 1-(Prop-2-enyloxy)-2-(prop-2-enyl)-4,5-methylenedioxybenzene. Fenproporex-M (di-HO-), 3AC. 2',4'-Dihydroxyacetophenone, diacetate. Fenproporex-M (N-desalkyl-HO-methoxy-), 2AC. 2'-Hydroxy-4'-methoxyacetophenone, acetate. Fenproporex-M (desamino-oxo-di-HO), 2AC. Fenproporex-M (desamino-oxo-HO-methoxy), AC. Oxprenolol hydroxy , isomer I, acetylated. 1-Allyl-2,4-dimethoxybenzene. Oxprenolol desamino, hydroxy, desalkyl - H2O, acetylated. .gamma.-Asarone. 4-Methoxysafrole.

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