ChemSpider 2D Image | 5-[(Z)-2-Phenylvinyl]-1,3-benzodioxole-4-carboxylic acid | C16H12O4

5-[(Z)-2-Phenylvinyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC16H12O4
  • Average mass268.264 Da
  • Monoisotopic mass268.073547 Da
  • ChemSpider ID35033930

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-[(Z)-2-phenylethenyl]- [ACD/Index Name]
5-[(Z)-2-Phenylethenyl]-1,3-Benzodioxole-4-Carboxylic Acid
5-[(Z)-2-Phenylvinyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(Z)-2-Phenylvinyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(Z)-2-phénylvinyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
JNS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 446.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 169.5±22.2 °C
Index of Refraction: 1.710
Molar Refractivity: 76.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 7.93
ACD/KOC (pH 5.5): 49.21
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 56 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 196.3±3.0 cm3

Click to predict properties on the Chemicalize site


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