ChemSpider 2D Image | (2R)-2-{4-[(2R)-2-Butanyl]phenyl}propanoic acid | C13H18O2

(2R)-2-{4-[(2R)-2-Butanyl]phenyl}propanoic acid

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID34988249

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2-{4-[(2R)-2-Butanyl]phenyl}propanoic acid [ACD/IUPAC Name]
(2R)-2-{4-[(2R)-2-Butanyl]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{4-[(2R)-2-butanyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-[(1R)-1-methylpropyl]-, (αR)- [ACD/Index Name]
2-(4-(1-METHYLPROPYL)PHENYL)PROPANOIC ACID
64451-76-9 [RN]
UNII-935Y3B0W8X

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

Density: 1.0±0.1 g/cm3
Boiling Point: 313.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 210.3±14.4 °C
Index of Refraction: 1.518
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 16.17
ACD/KOC (pH 5.5): 122.42
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 37 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 200.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement