Found 2 results

Search term: VOVRMIULRYYNDW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Acetyl-4-methyl-1,3-dithietan-2-ylidene)-2-butanone | C9H12O2S2

3-(4-Acetyl-4-methyl-1,3-dithietan-2-ylidene)-2-butanone

  • Molecular FormulaC9H12O2S2
  • Average mass216.320 Da
  • Monoisotopic mass216.027863 Da
  • ChemSpider ID95687868

More details:

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

2-Butanone, 3-(4-acetyl-4-methyl-1,3-dithietan-2-ylidene)- [ACD/Index Name]
3-(4-Acetyl-4-methyl-1,3-dithietan-2-yliden)-2-butanon [German] [ACD/IUPAC Name]
3-(4-Acetyl-4-methyl-1,3-dithietan-2-ylidene)-2-butanone [ACD/IUPAC Name]
3-(4-Acétyl-4-méthyl-1,3-dithiétan-2-ylidène)-2-butanone [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 358.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 159.2±17.9 °C
Index of Refraction: 1.571
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.12
ACD/KOC (pH 5.5): 844.78
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.12
ACD/KOC (pH 7.4): 844.78
Polar Surface Area: 85 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement