ChemSpider 2D Image | (2R)-2-(4-Isobutylphenyl)propanal | C13H18O

(2R)-2-(4-Isobutylphenyl)propanal

  • Molecular FormulaC13H18O
  • Average mass190.281 Da
  • Monoisotopic mass190.135757 Da
  • ChemSpider ID57584384

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Isobutylphenyl)propanal [German] [ACD/IUPAC Name]
(2R)-2-(4-Isobutylphenyl)propanal [ACD/IUPAC Name]
(2R)-2-(4-Isobutylphényl)propanal [French] [ACD/IUPAC Name]
Benzeneacetaldehyde, α-methyl-4-(2-methylpropyl)-, (αR)- [ACD/Index Name]
(2R)-2-[4-(2-methylpropyl)phenyl]propanal
114937-27-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 276.9±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 126.0±10.2 °C
Index of Refraction: 1.497
Molar Refractivity: 59.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.09
ACD/KOC (pH 5.5): 2608.67
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.09
ACD/KOC (pH 7.4): 2608.67
Polar Surface Area: 17 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

Click to predict properties on the Chemicalize site


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