ChemSpider 2D Image | MFCD11044861 | C11H8OS

MFCD11044861

  • Molecular FormulaC11H8OS
  • Average mass188.246 Da
  • Monoisotopic mass188.029587 Da
  • ChemSpider ID22369613

More details:

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

1H-Benzo[b]cyclopenta[d]thiophen-1-one, 2,3-dihydro- [ACD/Index Name]
2,3-Dihydro-1H-benzo[b]cyclopenta[d]thiophen-1-on [German] [ACD/IUPAC Name]
2,3-Dihydro-1H-benzo[b]cyclopenta[d]thiophen-1-one [ACD/IUPAC Name]
2,3-Dihydro-1H-benzo[b]cyclopenta[d]thiophén-1-one [French] [ACD/IUPAC Name]
2,3-Dihydro-benzo[b]cyclopenta[d]thiophen-1-one
38006-16-5 [RN]
MFCD11044861
2,3-DIHYDRO-1H-BENZO(B)CYCLOPENTA(D)THI

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

Density: 1.4±0.1 g/cm3
Boiling Point: 347.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 164.1±19.3 °C
Index of Refraction: 1.721
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.63
ACD/KOC (pH 5.5): 1435.54
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.63
ACD/KOC (pH 7.4): 1435.54
Polar Surface Area: 45 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 138.6±3.0 cm3

Click to predict properties on the Chemicalize site


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