ChemSpider 2D Image | 3-Hydroxy-5-(13-methyltetradecyl)phenyl hydrogen sulfate | C21H36O5S

3-Hydroxy-5-(13-methyltetradecyl)phenyl hydrogen sulfate

  • Molecular FormulaC21H36O5S
  • Average mass400.573 Da
  • Monoisotopic mass400.228333 Da
  • ChemSpider ID21615401

More details:

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

1,3-Benzenediol, 5-(13-methyltetradecyl)-, mono(hydrogen sulfate) [ACD/Index Name]
3-Hydroxy-5-(13-methyltetradecyl)phenyl hydrogen sulfate [ACD/IUPAC Name]
3-Hydroxy-5-(13-methyltetradecyl)phenylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 3-hydroxy-5-(13-méthyltétradécyl)phényle [French] [ACD/IUPAC Name]
Panosialin wA

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.519
Molar Refractivity: 109.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 5.43
ACD/KOC (pH 5.5): 11.83
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 11.67
Polar Surface Area: 92 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

Click to predict properties on the Chemicalize site


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