ChemSpider 2D Image | 1-(1,3-Dithiolan-2-yl)gibba-2,4,4b,6,8,10-hexaene-10-carboxylic acid | C19H16O2S2

1-(1,3-Dithiolan-2-yl)gibba-2,4,4b,6,8,10-hexaene-10-carboxylic acid

  • Molecular FormulaC19H16O2S2
  • Average mass340.459 Da
  • Monoisotopic mass340.059174 Da
  • ChemSpider ID57550479

More details:

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

1-(1,3-Dithiolan-2-yl)gibba-2,4,4b,6,8,10-hexaen-10-carbonsäure [German] [ACD/IUPAC Name]
1-(1,3-Dithiolan-2-yl)gibba-2,4,4b,6,8,10-hexaene-10-carboxylic acid [ACD/IUPAC Name]
Acide 1-(1,3-dithiolan-2-yl)gibba-2,4,4b,6,8,10-hexaène-10-carboxylique [French] [ACD/IUPAC Name]
Gibba-2,4,4b,6,8,10-hexaene-10-carboxylic acid, 1-(1,3-dithiolan-2-yl)- [ACD/Index Name]
1H-7,9A-METHANOBENZ[A]AZULENE-10-CARBOXYLICACID, 1-(1,3-DITHIOLAN-2-YL)-
6050-85-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.771
Molar Refractivity: 95.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 33.33
ACD/KOC (pH 5.5): 267.48
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.39
Polar Surface Area: 88 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 230.3±5.0 cm3

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