Chemical Properties of Propafenone hydroxy - H2O, acetylated

Propafenone hydroxy - H2O, acetylated

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InChI
InChI=1S/C25H29NO5/c1-4-15-26(19(2)27)16-8-17-30-25-14-12-22(31-20(3)28)18-23(25)24(29)13-11-21-9-6-5-7-10-21/h5-10,12,14,16,18H,4,11,13,15,17H2,1-3H3/b16-8-
InChI Key
BQYXEDZTMYPJBG-PXNMLYILSA-N
Formula
C25H29NO5
SMILES
CCCN(C=CCOc1ccc(OC(C)=O)cc1C(=O)CCc1ccccc1)C(C)=O
Molecular Weight1
423.50
Sources

Physical Properties

Property Value Unit Source
Δf -40.58 kJ/mol Joback Calculated Property
Δfgas -526.64 kJ/mol Joback Calculated Property
Δfus 58.21 kJ/mol Joback Calculated Property
Δvap 104.18 kJ/mol Joback Calculated Property
logPoct/wat 4.58 Crippen Calculated Property
Pc 1293.00 kPa Joback Calculated Property
Tboil 1057.77 K Joback Calculated Property
Tc 1296.69 K Joback Calculated Property
Tfus 671.03 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1097.69 J/mol×K 1057.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 3
=CH- (ring) 8
-CH2- 5
=C< (ring) 4
>N- 1
=CH- 2
-CH3 3

Similar Compounds

Propafenone - H2O, acetylated. PROPAFENONE-H2O, M(DESAMINO-DI-IIO-), AC. Propafenone desamino dihydroxy, acetylated. PROPAFENONE-H2O, AC. 2,5-Dibutyroxy-4-hydroxy butyrophenone. 2,5-Dihydroxyacetophenone, diacetate. 4,7-Dimethoxyindan-1-one. Etafenone. Propafenone. 2'-Hydroxy-5'-methoxyacetophenone, acetate. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (di-HO-), 2AC. Hydroquinone, 2-trifluoroacetyl, bis-TFA. 2',5'-Dimethoxypropiophenone. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-oxo-N-acetyl-), TFA. Dihydrooroxylin A.

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