ChemSpider 2D Image | 3-Phenyl-2-thiiranecarboxylic acid | C9H8O2S

3-Phenyl-2-thiiranecarboxylic acid

  • Molecular FormulaC9H8O2S
  • Average mass180.224 Da
  • Monoisotopic mass180.024506 Da
  • ChemSpider ID61054323

More details:

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

2-Thiiranecarboxylic acid, 3-phenyl- [ACD/Index Name]
3-Phenyl-2-thiirancarbonsäure [German] [ACD/IUPAC Name]
3-Phenyl-2-thiiranecarboxylic acid [ACD/IUPAC Name]
Acide 3-phényl-2-thiiranecarboxylique [French] [ACD/IUPAC Name]
1433017-86-7 [RN]
1823519-32-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 380.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 183.6±27.9 °C
Index of Refraction: 1.665
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 129.2±3.0 cm3

Click to predict properties on the Chemicalize site


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