ChemSpider 2D Image | (2S)-3,3,3-Trichloro-2-methyl-1-propanol | C4H7Cl3O

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

  • Molecular FormulaC4H7Cl3O
  • Average mass177.457 Da
  • Monoisotopic mass175.956253 Da
  • ChemSpider ID61617131

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3,3,3-Trichlor-2-methyl-1-propanol [German] [ACD/IUPAC Name]
(2S)-3,3,3-Trichloro-2-methyl-1-propanol [ACD/IUPAC Name]
(2S)-3,3,3-Trichloro-2-méthyl-1-propanol [French] [ACD/IUPAC Name]
1-Propanol, 3,3,3-trichloro-2-methyl-, (2S)- [ACD/Index Name]
1207363-05-0 [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: 260.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.9±6.0 kJ/mol
Flash Point: 111.4±25.9 °C
Index of Refraction: 1.490
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 40.13
ACD/KOC (pH 5.5): 489.03
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 40.13
ACD/KOC (pH 7.4): 489.03
Polar Surface Area: 20 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 126.6±3.0 cm3

Click to predict properties on the Chemicalize site


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