ChemSpider 2D Image | 4-(benzenesulfonyl)oxane-4-carboxylic acid | C12H14O5S

4-(benzenesulfonyl)oxane-4-carboxylic acid

  • Molecular FormulaC12H14O5S
  • Average mass270.302 Da
  • Monoisotopic mass270.056183 Da
  • ChemSpider ID41472045

More details:

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

1153968-63-8 [RN]
2H-Pyran-4-carboxylic acid, tetrahydro-4-(phenylsulfonyl)- [ACD/Index Name]
4-(benzenesulfonyl)oxane-4-carboxylic acid
4-(Phenylsulfonyl)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-(Phenylsulfonyl)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-(phénylsulfonyl)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
MFCD12035474

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

Density: 1.4±0.1 g/cm3
Boiling Point: 521.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 268.9±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 64.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -2.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 195.4±3.0 cm3

Click to predict properties on the Chemicalize site


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