ChemSpider 2D Image | 2-(3-Methylbutanoyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-ide | C14H13O3

2-(3-Methylbutanoyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-ide

  • Molecular FormulaC14H13O3
  • Average mass229.252 Da
  • Monoisotopic mass229.087021 Da
  • ChemSpider ID57523964

  • Charge - Charge

More details:

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

1H-Indene-1,3(2H)-dione, 2-(3-methyl-1-oxobutyl)-, ion(1-) [ACD/Index Name]
2-(3-Methylbutanoyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-id [German] [ACD/IUPAC Name]
2-(3-Methylbutanoyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-ide [ACD/IUPAC Name]
2-(3-Méthylbutanoyl)-1,3-dioxo-2,3-dihydro-1H-indén-2-ide [French] [ACD/IUPAC Name]
724692-82-4 [RN]

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

Density:
Boiling Point: 392.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 170.0±23.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.07
Polar Surface Area: 51 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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