ChemSpider 2D Image | isoapiole | C12H14O4

isoapiole

  • Molecular FormulaC12H14O4
  • Average mass222.237 Da
  • Monoisotopic mass222.089203 Da
  • ChemSpider ID21475827
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Benzodioxole, 4,7-dimethoxy-5-[(1E)-1-propen-1-yl]- [ACD/Index Name]
17672-88-7 [RN]
4,7-Dimethoxy-5-[(1E)-1-propen-1-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
4,7-Dimethoxy-5-[(1E)-1-propen-1-yl]-1,3-benzodioxole [ACD/IUPAC Name]
4,7-Diméthoxy-5-[(1E)-1-propén-1-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
isoapiole
1,3-BENZODIOXOLE, 4,7-DIMETHOXY-5-(1Z)-1-PROPEN-1-YL-
4,7-Dimethoxy-5-(1-propenyl)-1,3-benzodioxol
4,7-dimethoxy-5-[(1{E})-prop-1-en-1-yl]-1,3-benzodioxole
4,7-Dimethoxy-5-[(1E)-1-propenyl]-1,3-benzodioxole
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 327.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 131.6±33.3 °C
Index of Refraction: 1.564
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.82
ACD/KOC (pH 5.5): 579.16
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.82
ACD/KOC (pH 7.4): 579.16
Polar Surface Area: 37 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 189.6±3.0 cm3

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