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

ChemSpider 2D Image | 3,3,3-Trichloro-2-methyl-1,2-propanediol | C4H7Cl3O2

3,3,3-Trichloro-2-methyl-1,2-propanediol

  • Molecular FormulaC4H7Cl3O2
  • Average mass193.456 Da
  • Monoisotopic mass191.951157 Da
  • ChemSpider ID61034960

More details:






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

1,2-Propanediol, 3,3,3-trichloro-2-methyl- [ACD/Index Name]
3,3,3-Trichlor-2-methyl-1,2-propandiol [German] [ACD/IUPAC Name]
3,3,3-Trichloro-2-methyl-1,2-propanediol [ACD/IUPAC Name]
3,3,3-Trichloro-2-méthyl-1,2-propanediol [French] [ACD/IUPAC Name]
18190-13-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 331.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.5±6.0 kJ/mol
Flash Point: 154.3±26.5 °C
Index of Refraction: 1.528
Molar Refractivity: 38.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.83
ACD/KOC (pH 5.5): 151.86
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.83
ACD/KOC (pH 7.4): 151.86
Polar Surface Area: 40 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 123.8±3.0 cm3

Click to predict properties on the Chemicalize site






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