Chemical Properties of 3,4-Methylenedioxy-.beta.-nitrostyrene (CAS 1485-00-3)

3,4-Methylenedioxy-.beta.-nitrostyrene

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InChI
InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
InChI Key
KFLWBZPSJQPRDD-ONEGZZNKSA-N
Formula
C9H7NO4
SMILES
O=[N+]([O-])C=Cc1ccc2c(c1)OCO2
Molecular Weight1
193.16
CAS
1485-00-3
Other Names
  • 1,3-Benzodioxole, 5-(2-nitroethenyl)-
  • 1,3-Benzodioxole, 5-nitrovinyl-
  • 1-(2-Nitrovinyl)-3,4-methylenedioxybenzene
  • 3,4-(Methylenedioxy)-beta-nitrostyrene
  • 3,4-Methylenedioxy-1-(2-nitrovinyl)benzene
  • 5-(2-Nitrovinyl)-1,3-benzodioxole
  • Benzene, 2-nitroethenyl, 3,4-methylenedioxy
  • Ethene, 1-(3,4-methylendioxyphenyl)-2-nitro-
  • NSC 10120
  • NSC 105303
  • NSC 170724
  • Styrene, 3,4-(methylenedioxy)-b-nitro-
  • Styrene, 3,4-methylenedioxy-«beta»-nitro-
Sources

Physical Properties

Property Value Unit Source
Δf 130.04 kJ/mol Joback Calculated Property
Δfgas -79.90 kJ/mol Joback Calculated Property
Δfus 36.91 kJ/mol Joback Calculated Property
Δvap 65.02 kJ/mol Joback Calculated Property
logPoct/wat 1.66 Crippen Calculated Property
Pc 4046.64 kPa Joback Calculated Property
Tboil 663.27 K Joback Calculated Property
Tc 925.05 K Joback Calculated Property
Tfus 456.50 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 322.98 J/mol×K 663.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
=CH- (ring) 3
-NO2 1
=C< (ring) 3
=CH- 2
-CH2- (ring) 1

Similar Compounds

3,4-Dimethoxy-.beta.-nitrostyrene. 3,4-Methylenedioxystyrene. Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-. 1,3-Benzodioxole, 5-(1-propenyl)-. 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-. 3,4-Dimethoxy-.beta.-methyl-.beta.-nitrosostyrene. 2-Methoxy-4-(2-nitropropenyl)phenol. 2-Propenal, 3-(1,3-benzodioxol-5-yl)-. 3,4-Methylenedioxybenzylidene acetone. 3,4-Methylenedioxycinnamic acid. Anisole, m-(2-nitrovinyl)-. 6-(Benzo[d][1,3]dioxol-5-yl)hexa-3,5-dien-2-one. 3,4-(Methylenedioxy)toluene. Benzene, 4-ethenyl-1,2-dimethoxy-. (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate.

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