ChemSpider 2D Image | Benzyl 2-propyl-1-octanesulfonate | C18H30O3S

Benzyl 2-propyl-1-octanesulfonate

  • Molecular FormulaC18H30O3S
  • Average mass326.494 Da
  • Monoisotopic mass326.191559 Da
  • ChemSpider ID58807427

More details:

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

1-Octanesulfonic acid, 2-propyl-, phenylmethyl ester [ACD/Index Name]
2-Propyl-1-octanesulfonate de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-propyl-1-octanesulfonate [ACD/IUPAC Name]
Benzyl-2-propyl-1-octansulfonat [German] [ACD/IUPAC Name]
61440-56-0 [RN]
Benzyl 2-propyloctane-1-sulfonate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 457.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 230.3±22.9 °C
Index of Refraction: 1.501
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42479.98
ACD/KOC (pH 5.5): 71521.63
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42479.98
ACD/KOC (pH 7.4): 71521.63
Polar Surface Area: 52 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 315.1±3.0 cm3

Click to predict properties on the Chemicalize site


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