ChemSpider 2D Image | Ethyl (3R)-3-(bromomethyl)hexanoate | C9H17BrO2

Ethyl (3R)-3-(bromomethyl)hexanoate

  • Molecular FormulaC9H17BrO2
  • Average mass237.134 Da
  • Monoisotopic mass236.041183 Da
  • ChemSpider ID57379435

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(Bromométhyl)hexanoate d'éthyle [French] [ACD/IUPAC Name]
1956435-91-8 [RN]
Ethyl (3R)-3-(bromomethyl)hexanoate [ACD/IUPAC Name]
Ethyl-(3R)-3-(brommethyl)hexanoat [German] [ACD/IUPAC Name]
Hexanoic acid, 3-(bromomethyl)-, ethyl ester, (3R)- [ACD/Index Name]
(R)-Ethyl 3-(bromomethyl)hexanoate
1942054-60-5 [RN]
MFCD28404623

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

Density: 1.2±0.1 g/cm3
Boiling Point: 251.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 129.8±13.0 °C
Index of Refraction: 1.460
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.11
ACD/KOC (pH 5.5): 1293.22
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.11
ACD/KOC (pH 7.4): 1293.22
Polar Surface Area: 26 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 194.1±3.0 cm3

Click to predict properties on the Chemicalize site


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