ChemSpider 2D Image | (4-{[(4-Nitrophenyl)sulfonyl]oxy}adamantan-1-yl)methyl 4-methylbenzenesulfonate | C24H27NO8S2

(4-{[(4-Nitrophenyl)sulfonyl]oxy}adamantan-1-yl)methyl 4-methylbenzenesulfonate

  • Molecular FormulaC24H27NO8S2
  • Average mass521.603 Da
  • Monoisotopic mass521.117798 Da
  • ChemSpider ID3634482

More details:

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

(4-{[(4-Nitrophenyl)sulfonyl]oxy}adamantan-1-yl)methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
(4-{[(4-Nitrophenyl)sulfonyl]oxy}adamantan-1-yl)methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthylbenzènesulfonate de (4-{[(4-nitrophényl)sulfonyl]oxy}adamantan-1-yl)méthyle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-nitro-, 5-[[[(4-methylphenyl)sulfonyl]oxy]methyl]tricyclo[3.3.1.13,7]dec-2-yl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 364.5±25.9 °C
Index of Refraction: 1.645
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2114.33
ACD/KOC (pH 5.5): 8351.31
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2114.33
ACD/KOC (pH 7.4): 8351.31
Polar Surface Area: 149 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 353.2±5.0 cm3

Click to predict properties on the Chemicalize site


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