ChemSpider 2D Image | (3R)-3,7-Dimethyl-1,6-octadien-3-yl phenylacetate | C18H24O2

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

  • Molecular FormulaC18H24O2
  • Average mass272.382 Da
  • Monoisotopic mass272.177643 Da
  • ChemSpider ID34992508

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3,7-Dimethyl-1,6-octadien-3-yl phenylacetate [ACD/IUPAC Name]
(3R)-3,7-Dimethyl-1,6-octadien-3-yl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (1R)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester [ACD/Index Name]
Phénylacétate de (3R)-3,7-diméthyl-1,6-octadién-3-yle [French] [ACD/IUPAC Name]
230-444-2 [EINECS]
7143-69-3 [RN]
Linalyl phenylacetate
UNII-N73NNZ8H94

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

Density: 1.0±0.1 g/cm3
Boiling Point: 346.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 106.5±17.6 °C
Index of Refraction: 1.510
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7702.99
ACD/KOC (pH 5.5): 21069.84
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7702.99
ACD/KOC (pH 7.4): 21069.84
Polar Surface Area: 26 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 279.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement