Found 2 results

Search term: TXQDZFRXFDSOIO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(1R)-1-Chloroethyl]-1,3,5-trimethylbenzene | C11H15Cl

2-[(1R)-1-Chloroethyl]-1,3,5-trimethylbenzene

  • Molecular FormulaC11H15Cl
  • Average mass182.690 Da
  • Monoisotopic mass182.086227 Da
  • ChemSpider ID110457262

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(1R)-1-Chlorethyl]-1,3,5-trimethylbenzol [German] [ACD/IUPAC Name]
2-[(1R)-1-Chloroethyl]-1,3,5-trimethylbenzene [ACD/IUPAC Name]
2-[(1R)-1-Chloroéthyl]-1,3,5-triméthylbenzène [French] [ACD/IUPAC Name]
Benzene, 2-[(1R)-1-chloroethyl]-1,3,5-trimethyl- [ACD/Index 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: 252.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 104.3±11.4 °C
Index of Refraction: 1.514
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1220.67
ACD/KOC (pH 5.5): 5636.21
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1220.67
ACD/KOC (pH 7.4): 5636.21
Polar Surface Area: 0 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 31.5±3.0 dyne/cm
Molar Volume: 183.2±3.0 cm3

Click to predict properties on the Chemicalize site


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