Chemical Properties of 2-Propenal, 3-(1,3-benzodioxol-5-yl)- (CAS 14756-00-4)

2-Propenal, 3-(1,3-benzodioxol-5-yl)-

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InChI
InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1+
InChI Key
HZUFMSJUNLSDSZ-OWOJBTEDSA-N
Formula
C10H8O3
SMILES
O=CC=Cc1ccc2c(c1)OCO2
Molecular Weight1
176.17
CAS
14756-00-4
Other Names
  • (E)-3-(Benzo[d][1,3]dioxol-5-yl)acrylaldehyde
  • 3-(1,3-benzodioxol-5-yl)acrylaldehyde
Sources

Physical Properties

Property Value Unit Source
Δf 3.39 kJ/mol Joback Calculated Property
Δfgas -175.36 kJ/mol Joback Calculated Property
Δfus 30.43 kJ/mol Joback Calculated Property
Δvap 57.37 kJ/mol Joback Calculated Property
logPoct/wat 1.63 Crippen Calculated Property
Pc 3877.12 kPa Joback Calculated Property
Tboil 582.97 K Joback Calculated Property
Tc 817.27 K Joback Calculated Property
Tfus 366.16 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 296.74 J/mol×K 582.97 Joback Calculated Property
η 0.00 Pa×s 582.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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-Methylenedioxybenzylidene acetone. 3,4-Methylenedioxystyrene. 3-(3,4-dimethoxyphenyl)-2-propenal. 6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. 2-Propenal, 3-(4-hydroxy-3-methoxyphenyl)-. (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate. 3,4-Dimethoxybenzylideneacetone. (E)-Methyl isoeugenol. cis-Methyl isoeugenol. Benzene, 1,2-dimethoxy-4-(1-propenyl)-. (Z)-3,4-Dimethoxycinnamic acid.

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