ChemSpider 2D Image | (2R)-2,4,4-Trichlorobutanoic acid | C4H5Cl3O2

(2R)-2,4,4-Trichlorobutanoic acid

  • Molecular FormulaC4H5Cl3O2
  • Average mass191.440 Da
  • Monoisotopic mass189.935516 Da
  • ChemSpider ID61478437

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2,4,4-Trichlorbutansäure [German] [ACD/IUPAC Name]
(2R)-2,4,4-Trichlorobutanoic acid [ACD/IUPAC Name]
Acide (2R)-2,4,4-trichlorobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2,4,4-trichloro-, (2R)- [ACD/Index Name]
1932006-89-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 297.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.0±6.0 kJ/mol
Flash Point: 133.4±27.3 °C
Index of Refraction: 1.502
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 124.1±3.0 cm3

Click to predict properties on the Chemicalize site


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