ChemSpider 2D Image | 4-Chlorothieno[3,4-d][1,3]dioxole | C5H3ClO2S

4-Chlorothieno[3,4-d][1,3]dioxole

  • Molecular FormulaC5H3ClO2S
  • Average mass162.594 Da
  • Monoisotopic mass161.954224 Da
  • ChemSpider ID37651272

More details:

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

4-Chlorothieno[3,4-d][1,3]dioxole [ACD/IUPAC Name]
4-Chlorothiéno[3,4-d][1,3]dioxole [French] [ACD/IUPAC Name]
4-Chlorthieno[3,4-d][1,3]dioxol [German] [ACD/IUPAC Name]
Thieno[3,4-d]-1,3-dioxole, 4-chloro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 229.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.8±3.0 kJ/mol
Flash Point: 92.9±27.3 °C
Index of Refraction: 1.617
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.36
ACD/KOC (pH 5.5): 342.15
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.36
ACD/KOC (pH 7.4): 342.15
Polar Surface Area: 47 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 102.0±3.0 cm3

Click to predict properties on the Chemicalize site


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