ChemSpider 2D Image | (3R)-3,7-Dimethyl-6-octen-1-yl phenylacetate | C18H26O2

(3R)-3,7-Dimethyl-6-octen-1-yl phenylacetate

  • Molecular FormulaC18H26O2
  • Average mass274.398 Da
  • Monoisotopic mass274.193268 Da
  • ChemSpider ID34991036

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,7-Dimethyl-6-octen-1-yl phenylacetate [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-6-octen-1-yl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (3R)-3,7-dimethyl-6-octen-1-yl ester [ACD/Index Name]
Phénylacétate de (3R)-3,7-diméthyl-6-octén-1-yle [French] [ACD/IUPAC Name]
139-70-8 [RN]
205-373-5 [EINECS]
Citronellyl phenylacetate
UNII-HH43UJ4D76

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

Density: 1.0±0.1 g/cm3
Boiling Point: 374.3±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 121.2±20.4 °C
Index of Refraction: 1.500
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11281.72
ACD/KOC (pH 5.5): 27687.19
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11281.72
ACD/KOC (pH 7.4): 27687.19
Polar Surface Area: 26 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 284.6±3.0 cm3

Click to predict properties on the Chemicalize site


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