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Search term: YTWIDGFPLSMRCW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3,3-Dimethyl-1-buten-1-one | C6H10O

3,3-Dimethyl-1-buten-1-one

  • Molecular FormulaC6H10O
  • Average mass98.143 Da
  • Monoisotopic mass98.073166 Da
  • ChemSpider ID57499936

More details:






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

1-Buten-1-one, 3,3-dimethyl- [ACD/Index Name]
3,3-Dimethyl-1-buten-1-on [German] [ACD/IUPAC Name]
3,3-Dimethyl-1-buten-1-one [ACD/IUPAC Name]
3,3-Diméthyl-1-butén-1-one [French] [ACD/IUPAC Name]
59005-31-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 76.7±7.0 °C at 760 mmHg
Vapour Pressure: 99.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 31.8±3.0 kJ/mol
Flash Point: -5.1±13.3 °C
Index of Refraction: 1.400
Molar Refractivity: 30.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.89
ACD/KOC (pH 5.5): 240.57
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.89
ACD/KOC (pH 7.4): 240.57
Polar Surface Area: 17 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 12.7±3.0 dyne/cm
Molar Volume: 123.6±3.0 cm3

Click to predict properties on the Chemicalize site






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