Chemical Properties of 3,4-Dimethoxybenzylideneacetone (CAS 15001-27-1)

3,4-Dimethoxybenzylideneacetone

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InChI
InChI=1S/C12H14O3/c1-9(13)4-5-10-6-7-11(14-2)12(8-10)15-3/h4-8H,1-3H3/b5-4+
InChI Key
XUYBNDHXZMIALN-SNAWJCMRSA-N
Formula
C12H14O3
SMILES
COc1ccc(C=CC(C)=O)cc1OC
Molecular Weight1
206.24
CAS
15001-27-1
Other Names
  • 3-Buten-2-one, 4-(3,4-dimethoxyphenyl)-
  • 4-(3,4-Dimethoxyphenyl)-3-buten-2-one
Sources

Physical Properties

Property Value Unit Source
Δf -115.39 kJ/mol Joback Calculated Property
Δfgas -337.22 kJ/mol Joback Calculated Property
Δfus 24.28 kJ/mol Joback Calculated Property
Δvap 57.43 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Tboil 613.47 K Joback Calculated Property
Tc 827.88 K Joback Calculated Property
Tfus 365.77 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 398.09 J/mol×K 613.47 Joback Calculated Property
η 0.00 Pa×s 613.47 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-. 3-(3,4-dimethoxyphenyl)-2-propenal. (E)-1-(3,4-dimethoxyphenyl)but-1-ene. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. (Z)-3,4-Dimethoxycinnamic acid. 3,4-Dimethoxycinnamic acid. 3,4-Methylenedioxybenzylidene acetone. (E)-Methyl isoeugenol. cis-Methyl isoeugenol. Benzene, 1,2-dimethoxy-4-(1-propenyl)-. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. trans-Ferulic acid. (Z)-1-(3',4'-Dimethoxyphenyl)butadiene. (E)-1-(3,4-dimethoxyphenyl)butadiene.

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