ChemSpider 2D Image | 2-Methyl-3-(methylsulfonyl)butanoic acid | C6H12O4S

2-Methyl-3-(methylsulfonyl)butanoic acid

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID27022055

More details:

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

1496436-89-5 [RN]
2-Methyl-3-(methylsulfonyl)butanoic acid [ACD/IUPAC Name]
2-Methyl-3-(methylsulfonyl)butansäure [German] [ACD/IUPAC Name]
3-methanesulfonyl-2-methylbutanoic acid
Acide 2-méthyl-3-(méthylsulfonyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-3-(methylsulfonyl)- [ACD/Index Name]
MFCD21914058

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

Density: 1.3±0.1 g/cm3
Boiling Point: 383.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 185.7±23.2 °C
Index of Refraction: 1.471
Molar Refractivity: 40.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 80 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 144.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement