ChemSpider 2D Image | (3S)-1-Bromo-3-methylheptane | C8H17Br

(3S)-1-Bromo-3-methylheptane

  • Molecular FormulaC8H17Br
  • Average mass193.125 Da
  • Monoisotopic mass192.051361 Da
  • ChemSpider ID61686166
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-1-Brom-3-methylheptan [German] [ACD/IUPAC Name]
(3S)-1-Bromo-3-methylheptane [ACD/IUPAC Name]
(3S)-1-Bromo-3-méthylheptane [French] [ACD/IUPAC Name]
Heptane, 1-bromo-3-methyl-, (3S)- [ACD/Index Name]
402494-65-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 190.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 40.9±3.0 kJ/mol
Flash Point: 56.1±10.4 °C
Index of Refraction: 1.450
Molar Refractivity: 46.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1698.41
ACD/KOC (pH 5.5): 7139.39
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1698.41
ACD/KOC (pH 7.4): 7139.39
Polar Surface Area: 0 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 27.8±3.0 dyne/cm
Molar Volume: 174.1±3.0 cm3

Click to predict properties on the Chemicalize site






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