ChemSpider 2D Image | (1R)-1-(4-Isobutylphenyl)ethanol | C12H18O

(1R)-1-(4-Isobutylphenyl)ethanol

  • Molecular FormulaC12H18O
  • Average mass178.271 Da
  • Monoisotopic mass178.135757 Da
  • ChemSpider ID22837054

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(4-Isobutylphenyl)ethanol [ACD/IUPAC Name]
(1R)-1-(4-Isobutylphenyl)ethanol [German] [ACD/IUPAC Name]
(1R)-1-(4-Isobutylphényl)éthanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-methyl-4-(2-methylpropyl)-, (αR)- [ACD/Index Name]
(1R)-1-[4-(2-methylpropyl)phenyl]ethan-1-ol
130007-66-8 [RN]
MFCD09863714 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 245.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 108.3±3.7 °C
Index of Refraction: 1.513
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.43
ACD/KOC (pH 5.5): 1022.44
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.43
ACD/KOC (pH 7.4): 1022.44
Polar Surface Area: 20 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 186.7±3.0 cm3

Click to predict properties on the Chemicalize site


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