Found 32 results

Search term: MF = 'C_{5}H_{9}Cl_{3}O'
ChemSpider 2D Image | (2S)-1,1,1-Trichloro-3-methyl-2-butanol | C5H9Cl3O

(2S)-1,1,1-Trichloro-3-methyl-2-butanol

  • Molecular FormulaC5H9Cl3O
  • Average mass191.483 Da
  • Monoisotopic mass189.971893 Da
  • ChemSpider ID61461206

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,1-Trichlor-3-methyl-2-butanol [German] [ACD/IUPAC Name]
(2S)-1,1,1-Trichloro-3-methyl-2-butanol [ACD/IUPAC Name]
(2S)-1,1,1-Trichloro-3-méthyl-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 1,1,1-trichloro-3-methyl-, (2S)- [ACD/Index Name]
1932131-67-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 199.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.7±6.0 kJ/mol
Flash Point: 74.6±25.9 °C
Index of Refraction: 1.486
Molar Refractivity: 41.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.37
ACD/KOC (pH 5.5): 455.86
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.37
ACD/KOC (pH 7.4): 455.86
Polar Surface Area: 20 Å2
Polarizability: 16.3±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 143.5±3.0 cm3

Click to predict properties on the Chemicalize site


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