Chemical Properties of 1,3-Benzodioxole, 5-(1-propenyl)- (CAS 120-58-1)

1,3-Benzodioxole, 5-(1-propenyl)-

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InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChI Key
VHVOLFRBFDOUSH-UHFFFAOYSA-N
Formula
C10H10O2
SMILES
CC=Cc1ccc2c(c1)OCO2
Molecular Weight1
162.19
CAS
120-58-1
Other Names
  • 1,2-(Methylenedioxy)-4-propenylbenzene
  • 1,3-Benzodioxole, 5-(1-propen-1-yl)-
  • 3,4-(Methylenedioxy)-1-propenylbenzene
  • 4-Propenyl-1,2-methylenedioxybenzene
  • 4-Propenylcatechol methylene ether
  • 5-(1-Propenyl)-1,3-benzodioxole
  • 5-prop-1-enyl-1,3-benzodioxole
  • 6-(1-Propenyl)-1,3-benzodioxole
  • Benzene, 1,2-(methylenedioxy)-4-propenyl-
  • Isosafrol
  • Isosafrole
  • Izosafrol
  • NSC 4884
  • Rcra waste number U141
Sources

Physical Properties

Property Value Unit Source
Δf 102.91 kJ/mol Joback Calculated Property
Δfgas -89.78 kJ/mol Joback Calculated Property
Δfus 28.14 kJ/mol Joback Calculated Property
Δvap 50.65 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 3543.08 kPa Joback Calculated Property
Tboil 354.70 K NIST
Tc 766.11 K Joback Calculated Property
Tfus 324.16 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 281.89 J/mol×K 534.31 Joback Calculated Property
η 0.00 Pa×s 534.31 Joback Calculated Property
ΔvapH 59.40 kJ/mol 462.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-. 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-. 2-Propenal, 3-(1,3-benzodioxol-5-yl)-. 3,4-Methylenedioxystyrene. 3,4-Methylenedioxycinnamic acid. 3,4-Methylenedioxybenzylidene acetone. 6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. Benzene, 1,2-dimethoxy-4-(1-propenyl)-. cis-Methyl isoeugenol. (E)-Methyl isoeugenol. trans-Isoeugenol. Phenol, 2-methoxy-4-(1-propenyl)-, (Z)-. Phenol, 2-methoxy-4-(1-propenyl)-. (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate. (E)-1-(3,4-dimethoxyphenyl)butadiene.

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