ChemSpider 2D Image | 2,2-Dimethylpropyl 4-(4-methoxyphenoxy)benzenesulfonate | C18H22O5S

2,2-Dimethylpropyl 4-(4-methoxyphenoxy)benzenesulfonate

  • Molecular FormulaC18H22O5S
  • Average mass350.429 Da
  • Monoisotopic mass350.118805 Da
  • ChemSpider ID103794019

More details:

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

2,2-Dimethylpropyl 4-(4-methoxyphenoxy)benzenesulfonate [ACD/IUPAC Name]
2,2-Dimethylpropyl-4-(4-methoxyphenoxy)benzolsulfonat [German] [ACD/IUPAC Name]
4-(4-Méthoxyphénoxy)benzènesulfonate de 2,2-diméthylpropyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-(4-methoxyphenoxy)-, 2,2-dimethylpropyl ester [ACD/Index Name]
2365420-04-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 229.3±24.6 °C
Index of Refraction: 1.538
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 803.61
ACD/KOC (pH 5.5): 4178.63
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 803.61
ACD/KOC (pH 7.4): 4178.63
Polar Surface Area: 70 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 298.2±3.0 cm3

Click to predict properties on the Chemicalize site


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