ChemSpider 2D Image | (R)-p-butylhydratropic acid | C13H18O2

(R)-p-butylhydratropic acid

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID24957967

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(4-Butylphenyl)propanoic acid [ACD/IUPAC Name]
(2R)-2-(4-Butylphenyl)propansäure [German] [ACD/IUPAC Name]
(R)-p-butylhydratropic acid
1263078-21-2 [RN]
Acide (2R)-2-(4-butylphényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-butyl-α-methyl-, (αR)- [ACD/Index Name]
(R)-2-(4-Butylphenyl)propanoic acid
(R)-2-(4-Butylphenyl)-propionic acid
(R)-2-(4-Butyl-phenyl)-propionic acid
3585-49-7 [RN]
More...

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

T3N3G493N5 [DBID]
UNII:T3N3G493N5 [DBID]
UNII-T3N3G493N5 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 325.8±11.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±3.0 kJ/mol
    Flash Point: 222.8±14.4 °C
    Index of Refraction: 1.520
    Molar Refractivity: 60.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 21.24
    ACD/KOC (pH 5.5): 150.84
    ACD/LogD (pH 7.4): 0.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.39
    Polar Surface Area: 37 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 200.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement