ChemSpider 2D Image | (5S)-2-Isopropyl-5-methylcyclohexyl phenylacetate | C18H26O2

(5S)-2-Isopropyl-5-methylcyclohexyl phenylacetate

  • Molecular FormulaC18H26O2
  • Average mass274.398 Da
  • Monoisotopic mass274.193268 Da
  • ChemSpider ID34997320

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(5S)-2-Isopropyl-5-methylcyclohexyl phenylacetate [ACD/IUPAC Name]
(5S)-2-Isopropyl-5-methylcyclohexyl-phenylacetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, (5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
Phénylacétate de (5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
[1R-(1α,2β,5α)]-p-menthyl phenylacetate
26171-78-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 358.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 164.1±6.8 °C
Index of Refraction: 1.511
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11769.64
ACD/KOC (pH 5.5): 28539.15
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11769.64
ACD/KOC (pH 7.4): 28539.15
Polar Surface Area: 26 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


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