Chemical Properties of 1,3-Benzodioxole (CAS 274-09-9)

1,3-Benzodioxole

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InChI
InChI=1S/C7H6O2/c1-2-4-7-6(3-1)8-5-9-7/h1-4H,5H2
InChI Key
FTNJQNQLEGKTGD-UHFFFAOYSA-N
Formula
C7H6O2
SMILES
c1ccc2c(c1)OCO2
Molecular Weight1
122.12
CAS
274-09-9
Other Names
  • (Methylenedioxy)benzene
  • 1,2-(Methylenedioxy)benzene
  • 1,3-Dioxaindan
  • 1,3-Dioxindan
  • 1,3-benzodioxolane
  • 2H-1,3-Benzodioxole
  • 3,4-Methylenedioxybenzene
  • Benzene, 1,2-(methylenedioxy)-
  • Benzene, 1,2-[methylenebis(oxy)]-
  • Benzodioxole
  • NSC 30095
  • o-Methylenedioxybenzene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3428.00 ± 2.00 kJ/mol NIST
Δf 7.06 kJ/mol Joback Calculated Property
Δfgas -133.61 kJ/mol Joback Calculated Property
Δfus 20.56 kJ/mol Joback Calculated Property
Δvap 41.40 kJ/mol NIST
IE 8.00 eV NIST
IE 8.21 eV NIST
logPoct/wat 1.42 Crippen Calculated Property
Pc 4897.06 kPa Joback Calculated Property
Tboil 445.70 K NIST
Tboil 344.00 ± 1.00 K NIST
Tc 688.03 K Joback Calculated Property
Tfus 282.91 K Joback Calculated Property
Vc 0.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 174.58 J/mol×K 456.53 Joback Calculated Property
η 0.00 Pa×s 456.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-O- (ring) 2
-CH2- (ring) 1
=CH- (ring) 4

Similar Compounds

1,3-Benzodioxol-5-ol. Phenol, 2-methoxy-. Benzene, 1,2-dimethoxy-. 2-Methoxyresorcinol. 1-Iodo-3,4-methylenedioxybenzene. 4-Bromo-1,2-(methylenedioxy)benzene. 3,4-(Methylenedioxy)toluene. 1,3-Benzodioxol-5-amine. Phenol, 2-ethoxy-. 5-Chloro-1,3-benzodioxole. 1,2-Benzenediol, 3-methoxy-. 1,4-Benzenediol, 2-methoxy-. Ethyl guaiacol. Phenol, 2,6-dimethoxy-. Formic acid, 2-methoxyphenyl ester.

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