ChemSpider 2D Image | S-Phenyl 3-hydroxy-3-pentyloctanethioate | C19H30O2S

S-Phenyl 3-hydroxy-3-pentyloctanethioate

  • Molecular FormulaC19H30O2S
  • Average mass322.505 Da
  • Monoisotopic mass322.196655 Da
  • ChemSpider ID57510295

More details:

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

3-Hydroxy-3-pentyloctanethioate de S-phényle [French] [ACD/IUPAC Name]
Octanethioic acid, 3-hydroxy-3-pentyl-, S-phenyl ester [ACD/Index Name]
S-Phenyl 3-hydroxy-3-pentyloctanethioate [ACD/IUPAC Name]
S-Phenyl-3-hydroxy-3-pentyloctanthioat [German] [ACD/IUPAC Name]
3-HYDROXY-3-PENTYL-1-(PHENYLSULFANYL)OCTAN-1-ONE
61257-11-2 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 441.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.8±24.0 °C
Index of Refraction: 1.532
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69478.32
ACD/KOC (pH 5.5): 101712.94
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69478.32
ACD/KOC (pH 7.4): 101712.94
Polar Surface Area: 63 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 311.8±5.0 cm3

Click to predict properties on the Chemicalize site


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