ChemSpider 2D Image | [1-(Phenylsulfanyl)cyclobutyl]acetic acid | C12H14O2S

[1-(Phenylsulfanyl)cyclobutyl]acetic acid

  • Molecular FormulaC12H14O2S
  • Average mass222.303 Da
  • Monoisotopic mass222.071457 Da
  • ChemSpider ID30416278

More details:

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

[1-(Phenylsulfanyl)cyclobutyl]acetic acid [ACD/IUPAC Name]
[1-(Phenylsulfanyl)cyclobutyl]essigsäure [German] [ACD/IUPAC Name]
2-[1-(phenylsulfanyl)cyclobutyl]acetic acid
934555-27-8 [RN]
Acide [1-(phénylsulfanyl)cyclobutyl]acétique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 1-(phenylthio)- [ACD/Index Name]
MFCD25371657

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.2±20.4 °C
Index of Refraction: 1.611
Molar Refractivity: 62.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 123.95
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 63 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 179.0±5.0 cm3

Click to predict properties on the Chemicalize site


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