ChemSpider 2D Image | 3-Phenyl-5,6-dihydro-1,4-oxathiine-2-carboxylic acid | C11H10O3S

3-Phenyl-5,6-dihydro-1,4-oxathiine-2-carboxylic acid

  • Molecular FormulaC11H10O3S
  • Average mass222.260 Da
  • Monoisotopic mass222.035065 Da
  • ChemSpider ID21750864

More details:

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

1,4-Oxathiin-2-carboxylic acid, 5,6-dihydro-3-phenyl- [ACD/Index Name]
166270-89-9 [RN]
3-Phenyl-5,6-dihydro-1,4-oxathiin-2-carbonsäure [German] [ACD/IUPAC Name]
3-Phenyl-5,6-dihydro-1,4-oxathiine-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-phényl-5,6-dihydro-1,4-oxathiine-2-carboxylique [French] [ACD/IUPAC Name]
5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxylic acid
MFCD09880367

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

Density: 1.4±0.1 g/cm3
Boiling Point: 352.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 166.9±27.9 °C
Index of Refraction: 1.637
Molar Refractivity: 58.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.89
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 162.7±3.0 cm3

Click to predict properties on the Chemicalize site


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