ChemSpider 2D Image | 2-[(2-Methyl-2-propanyl)sulfanyl]ethyl cyclobutylideneacetate | C12H20O2S

2-[(2-Methyl-2-propanyl)sulfanyl]ethyl cyclobutylideneacetate

  • Molecular FormulaC12H20O2S
  • Average mass228.351 Da
  • Monoisotopic mass228.118393 Da
  • ChemSpider ID30295079

More details:

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

2-[(2-Methyl-2-propanyl)sulfanyl]ethyl cyclobutylideneacetate [ACD/IUPAC Name]
2-[(2-Methyl-2-propanyl)sulfanyl]ethyl-cyclobutylidenacetat [German] [ACD/IUPAC Name]
Acetic acid, 2-cyclobutylidene-, 2-[(1,1-dimethylethyl)thio]ethyl ester [ACD/Index Name]
Cyclobutylidèneacétate de 2-[(2-méthyl-2-propanyl)sulfanyl]éthyle [French] [ACD/IUPAC Name]
2-(TERT-BUTYLSULFANYL)ETHYL 2-CYCLOBUTYLIDENEACETATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 324.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 145.5±11.2 °C
Index of Refraction: 1.567
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 415.64
ACD/KOC (pH 5.5): 2606.64
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 415.64
ACD/KOC (pH 7.4): 2606.64
Polar Surface Area: 52 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 204.7±3.0 cm3

Click to predict properties on the Chemicalize site


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