ChemSpider 2D Image | 1,3-Dichloroacetone | C3H4Cl2O

1,3-Dichloroacetone

  • Molecular FormulaC3H4Cl2O
  • Average mass126.969 Da
  • Monoisotopic mass125.963921 Da
  • ChemSpider ID21106513

More details:



Featured data source



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

1,3-Dichloraceton [German] [ACD/IUPAC Name]
1,3-Dichloroacetone [ACD/IUPAC Name]
1,3-Dichloroacétone [French] [ACD/IUPAC Name]
1,3-dichloropropan-2-one
2-Propanone, 1,3-dichloro- [ACD/Index Name]
1,3-DCA
1,3-Dichloro-2-propanone
1,3-Dichloropropanone
208-585-6 [EINECS]
534-07-6 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10878_FLUKA [DBID]
168548_ALDRICH [DBID]
35040_FLUKA [DBID]
NSC 8745 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 173.0±0.0 °C at 760 mmHg
Vapour Pressure: 1.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 89.4±0.0 °C
Index of Refraction: 1.437
Molar Refractivity: 25.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.07
ACD/KOC (pH 5.5): 95.04
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.07
ACD/KOC (pH 7.4): 95.04
Polar Surface Area: 17 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 97.9±3.0 cm3

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