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

(S)-p-butylhydratropic acid

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID24957966

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Butylphenyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Butylphenyl)propansäure [German] [ACD/IUPAC Name]
(S)-2-(4-Butylphenyl)-propionic acid
(S)-p-butylhydratropic acid
404354-76-3 [RN]
Acide (2S)-2-(4-butylphényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-butyl-α-methyl-, (αS)- [ACD/Index Name]
(2S)-2-(4-Butylphenyl)propanoic acid|4-Butyl-α-methylbenzeneacetic acid
(S)-2-(4-butylphenyl)propanoic acid
(S)-2-(4-Butyl-phenyl)-propionic acid
More...

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

OS8WJ779B1 [DBID]
UNII:OS8WJ779B1 [DBID]
UNII-OS8WJ779B1 [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

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