ChemSpider 2D Image | [(2-Methyl-2-propanyl)sulfonyl]acetic acid | C6H12O4S

[(2-Methyl-2-propanyl)sulfonyl]acetic acid

  • Molecular FormulaC6H12O4S
  • Average mass180.222 Da
  • Monoisotopic mass180.045624 Da
  • ChemSpider ID26546113

More details:

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

[(2-Methyl-2-propanyl)sulfonyl]acetic acid [ACD/IUPAC Name]
[(2-Methyl-2-propanyl)sulfonyl]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(1,1-dimethylethyl)sulfonyl]- [ACD/Index Name]
Acide [(2-méthyl-2-propanyl)sulfonyl]acétique [French] [ACD/IUPAC Name]
(2-Methylpropane-2-sulfonyl)acetic acid
2-(2-Methylpropane-2-sulfonyl)acetic acid
2-(tert-butylsulfonyl)acetic acid
2-tert-butylsulfonylacetic acid
36610-02-3 [RN]
MFCD06208069 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 376.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.5±6.0 kJ/mol
Flash Point: 181.5±23.2 °C
Index of Refraction: 1.474
Molar Refractivity: 40.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
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: 44.9±3.0 dyne/cm
Molar Volume: 143.3±3.0 cm3

Click to predict properties on the Chemicalize site


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