Chemical Properties of 3,4-Methylenedioxybenzylidene acetone (CAS 3160-37-0)

3,4-Methylenedioxybenzylidene acetone

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InChI
InChI=1S/C11H10O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h2-6H,7H2,1H3/b3-2+
InChI Key
XIYPXOFSURQTTJ-NSCUHMNNSA-N
Formula
C11H10O3
SMILES
CC(=O)C=Cc1ccc2c(c1)OCO2
Molecular Weight1
190.20
CAS
3160-37-0
Other Names
  • 1-(3,4-Methylenedioxyphenyl)but-2-en-3-one
  • 2-Butanone, 4-(3,4-(methylenedioxy)phenyl)-
  • 3-Buten-2-one, 4-(1,3-benzodioxol-5-yl)-
  • 3-Buten-2-one, 4-(3,4-(methylenedioxy)phenyl)-
  • 4-(3,4-methylenedioxyphenyl)but-3-en-2-one
  • Acetone, piperonylidene-
  • Heliotropyl acetone
  • NSC 217304
  • NSC 407384
  • Piperonalacetone
  • Piperonyl acetone
  • Piperonylideneacetone
Sources

Physical Properties

Property Value Unit Source
Δf -17.59 kJ/mol Joback Calculated Property
Δfgas -223.00 kJ/mol Joback Calculated Property
Δfus 32.33 kJ/mol Joback Calculated Property
Δvap 59.63 kJ/mol Joback Calculated Property
logPoct/wat 2.02 Crippen Calculated Property
Pc 3407.89 kPa Joback Calculated Property
Tboil 611.06 K Joback Calculated Property
Tc 846.05 K Joback Calculated Property
Tfus 385.36 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 341.70 J/mol×K 611.06 Joback Calculated Property
η 0.00 Pa×s 611.06 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Propenal, 3-(1,3-benzodioxol-5-yl)-. 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-. Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-. 1,3-Benzodioxole, 5-(1-propenyl)-. 3,4-Methylenedioxycinnamic acid. 3,4-Dimethoxybenzylideneacetone. 3-Buten-2-one, 4-(4-hydroxy-3-methoxyphenyl)-. 6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. 3,4-Methylenedioxystyrene. Stiripentol. (E)-1-(3,4-dimethoxyphenyl)but-1-ene. 3-(3,4-dimethoxyphenyl)-2-propenal. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate. 3,4-Dimethoxycinnamic acid.

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