ChemSpider 2D Image | 1-({[2-(Bromomethyl)-2-propylpentyl]sulfanyl}methyl)-3,5-dimethylbenzene | C18H29BrS

1-({[2-(Bromomethyl)-2-propylpentyl]sulfanyl}methyl)-3,5-dimethylbenzene

  • Molecular FormulaC18H29BrS
  • Average mass357.392 Da
  • Monoisotopic mass356.117340 Da
  • ChemSpider ID36766553

More details:

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

1-({[2-(Brommethyl)-2-propylpentyl]sulfanyl}methyl)-3,5-dimethylbenzol [German] [ACD/IUPAC Name]
1-({[2-(Bromomethyl)-2-propylpentyl]sulfanyl}methyl)-3,5-dimethylbenzene [ACD/IUPAC Name]
1-({[2-(Bromométhyl)-2-propylpentyl]sulfanyl}méthyl)-3,5-diméthylbenzène [French] [ACD/IUPAC Name]
Benzene, 1-[[[2-(bromomethyl)-2-propylpentyl]thio]methyl]-3,5-dimethyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 203.7±25.4 °C
Index of Refraction: 1.538
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 166224.67
ACD/KOC (pH 5.5): 189911.22
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 166224.67
ACD/KOC (pH 7.4): 189911.22
Polar Surface Area: 25 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 314.1±3.0 cm3

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