ChemSpider 2D Image | (2S,3R)-2,3,4-Trichloro-1-butanol | C4H7Cl3O

(2S,3R)-2,3,4-Trichloro-1-butanol

  • Molecular FormulaC4H7Cl3O
  • Average mass177.457 Da
  • Monoisotopic mass175.956253 Da
  • ChemSpider ID61302585

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2,3,4-Trichlor-1-butanol [German] [ACD/IUPAC Name]
(2S,3R)-2,3,4-Trichloro-1-butanol [ACD/IUPAC Name]
(2S,3R)-2,3,4-Trichloro-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2,3,4-trichloro-, (2S,3R)- [ACD/Index Name]
42819-38-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 279.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.1±6.0 kJ/mol
Flash Point: 122.7±27.3 °C
Index of Refraction: 1.488
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.61
ACD/KOC (pH 5.5): 188.79
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.61
ACD/KOC (pH 7.4): 188.79
Polar Surface Area: 20 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 127.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement