ChemSpider 2D Image | (1Z,3E,5S,6S)1Br5,6diCl2,6diMeOcta1,3,7t | C10H13BrCl2

(1Z,3E,5S,6S)1Br5,6diCl2,6diMeOcta1,3,7t

  • Molecular FormulaC10H13BrCl2
  • Average mass284.020 Da
  • Monoisotopic mass281.957764 Da
  • ChemSpider ID27024247
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(1Z,3E,5S,6S)1Br5,6diCl2,6diMeOcta1,3,7t
(1Z,3E,5S,6S)-1-Brom-5,6-dichlor-2,6-dimethyl-1,3,7-octatrien [German] [ACD/IUPAC Name]
(1Z,3E,5S,6S)-1-Bromo-5,6-dichloro-2,6-dimethyl-1,3,7-octatriene [ACD/IUPAC Name]
(1Z,3E,5S,6S)-1-Bromo-5,6-dichloro-2,6-diméthyl-1,3,7-octatriène [French] [ACD/IUPAC Name]
1,3,7-Octatriene, 1-bromo-5,6-dichloro-2,6-dimethyl-, (1Z,3E,5S,6S)- [ACD/Index Name]
(1Z,3E,5S*,6S*)-1-bromo-5,6-dichloro-2,6-dimethyl-octa-1,3,7- triene
(1Z,3E,5S*,6S*)-1-bromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
1162677-87-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 317.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 180.2±18.0 °C
Index of Refraction: 1.529
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 865.51
ACD/KOC (pH 5.5): 4406.58
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 865.51
ACD/KOC (pH 7.4): 4406.58
Polar Surface Area: 0 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 212.1±3.0 cm3

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