ChemSpider 2D Image | Methyl 4-bromocyclohexanecarboxylate | C8H13BrO2

Methyl 4-bromocyclohexanecarboxylate

  • Molecular FormulaC8H13BrO2
  • Average mass221.092 Da
  • Monoisotopic mass220.009888 Da
  • ChemSpider ID34500348

More details:






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

4-Bromocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-bromo-, methyl ester [ACD/Index Name]
Methyl 4-bromocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-4-bromcyclohexancarboxylat [German] [ACD/IUPAC Name]
101654-20-0 [RN]
methyl 4-bromocyclohexane-1-carboxylate
MFCD28664714

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

Density: 1.4±0.1 g/cm3
Boiling Point: 237.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 97.6±25.4 °C
Index of Refraction: 1.498
Molar Refractivity: 46.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.58
ACD/KOC (pH 5.5): 617.52
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.58
ACD/KOC (pH 7.4): 617.52
Polar Surface Area: 26 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 158.4±3.0 cm3

Click to predict properties on the Chemicalize site






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