ChemSpider 2D Image | [4-(Cyclohexylsulfanyl)phenyl](hydroxy)acetic acid | C14H18O3S

[4-(Cyclohexylsulfanyl)phenyl](hydroxy)acetic acid

  • Molecular FormulaC14H18O3S
  • Average mass266.356 Da
  • Monoisotopic mass266.097656 Da
  • ChemSpider ID95711332

More details:

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

[4-(Cyclohexylsulfanyl)phenyl](hydroxy)acetic acid [ACD/IUPAC Name]
[4-(Cyclohexylsulfanyl)phenyl](hydroxy)essigsäure [German] [ACD/IUPAC Name]
Acide [4-(cyclohexylsulfanyl)phényl](hydroxy)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-(cyclohexylthio)-α-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 464.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.5±25.9 °C
Index of Refraction: 1.613
Molar Refractivity: 72.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.19
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 209.5±5.0 cm3

Click to predict properties on the Chemicalize site


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