ChemSpider 2D Image | 2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic acid | C8H14O4S

2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic acid

  • Molecular FormulaC8H14O4S
  • Average mass206.259 Da
  • Monoisotopic mass206.061279 Da
  • ChemSpider ID28545040

More details:

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

({2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}sulfanyl)acetic acid [ACD/IUPAC Name]
({2-[(2-Methyl-2-propanyl)oxy]-2-oxoethyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
2-{[2-(tert-butoxy)-2-oxoethyl]sulfanyl}acetic acid
204133-20-0 [RN]
Acetic acid, 2,2'-thiobis-, 1,1-dimethylethyl ester [ACD/Index Name]
Acide ({2-[(2-méthyl-2-propanyl)oxy]-2-oxoéthyl}sulfanyl)acétique [French] [ACD/IUPAC Name]
MFCD11647326

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

Density: 1.2±0.1 g/cm3
Boiling Point: 305.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 138.5±23.7 °C
Index of Refraction: 1.496
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 172.7±3.0 cm3

Click to predict properties on the Chemicalize site


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