ChemSpider 2D Image | (2S)-2-Methylhexanoyl chloride | C7H13ClO

(2S)-2-Methylhexanoyl chloride

  • Molecular FormulaC7H13ClO
  • Average mass148.630 Da
  • Monoisotopic mass148.065491 Da
  • ChemSpider ID57558286

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Methylhexanoyl chloride [ACD/IUPAC Name]
(2S)-2-Methylhexanoylchlorid [German] [ACD/IUPAC Name]
Chlorure de (2S)-2-méthylhexanoyle [French] [ACD/IUPAC Name]
Hexanoyl chloride, 2-methyl-, (2S)- [ACD/Index Name]
87428-82-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 162.9±8.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.9±3.0 kJ/mol
Flash Point: 54.9±10.9 °C
Index of Refraction: 1.428
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.39
ACD/KOC (pH 5.5): 839.65
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.39
ACD/KOC (pH 7.4): 839.65
Polar Surface Area: 17 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 27.9±3.0 dyne/cm
Molar Volume: 153.0±3.0 cm3

Click to predict properties on the Chemicalize site


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