ChemSpider 2D Image | 4-[(Methylsulfonyl)methyl]tetrahydro-2H-pyran-4-carboxylic acid | C8H14O5S

4-[(Methylsulfonyl)methyl]tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC8H14O5S
  • Average mass222.259 Da
  • Monoisotopic mass222.056198 Da
  • ChemSpider ID58674133

More details:

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

2H-Pyran-4-carboxylic acid, tetrahydro-4-[(methylsulfonyl)methyl]- [ACD/Index Name]
4-[(Methylsulfonyl)methyl]tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
4-[(Methylsulfonyl)methyl]tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
Acide 4-[(méthylsulfonyl)méthyl]tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
1781605-98-8 [RN]
4-(methanesulfonylmethyl)oxane-4-carboxylic acid
MFCD28532416

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.3±6.0 kJ/mol
Flash Point: 238.3±24.6 °C
Index of Refraction: 1.503
Molar Refractivity: 49.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 166.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement