Found 3 results

Search term: CCAJQWQPQNZYTE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-6-Chloro-2-hexanyl acetate | C8H15ClO2

(2S)-6-Chloro-2-hexanyl acetate

  • Molecular FormulaC8H15ClO2
  • Average mass178.656 Da
  • Monoisotopic mass178.076050 Da
  • ChemSpider ID75146498

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-6-Chlor-2-hexanyl-acetat [German] [ACD/IUPAC Name]
(2S)-6-Chloro-2-hexanyl acetate [ACD/IUPAC Name]
2-Hexanol, 6-chloro-, acetate, (2S)- [ACD/Index Name]
Acétate de (2S)-6-chloro-2-hexanyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 219.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 91.4±18.1 °C
Index of Refraction: 1.433
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.41
ACD/KOC (pH 5.5): 789.95
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.41
ACD/KOC (pH 7.4): 789.95
Polar Surface Area: 26 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 175.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement