ChemSpider 2D Image | 2-Hydroxy-3-(octadecyloxy)propyl benzenesulfonate | C27H48O5S

2-Hydroxy-3-(octadecyloxy)propyl benzenesulfonate

  • Molecular FormulaC27H48O5S
  • Average mass484.732 Da
  • Monoisotopic mass484.322235 Da
  • ChemSpider ID57493385

More details:

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

1,2-Propanediol, 3-(octadecyloxy)-, 1-benzenesulfonate [ACD/Index Name]
2-Hydroxy-3-(octadecyloxy)propyl benzenesulfonate [ACD/IUPAC Name]
2-Hydroxy-3-(octadecyloxy)propyl-benzolsulfonat [German] [ACD/IUPAC Name]
Benzènesulfonate de 2-hydroxy-3-(octadécyloxy)propyle [French] [ACD/IUPAC Name]
1-[(BENZENESULFONYL)OXY]-3-(OCTADECYLOXY)PROPAN-2-OL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 593.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.8±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 9.51
ACD/LogD (pH 5.5): 9.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2757733.00
ACD/LogD (pH 7.4): 9.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2757724.00
Polar Surface Area: 81 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 472.0±3.0 cm3

Click to predict properties on the Chemicalize site


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