ChemSpider 2D Image | 2-(Tritylsulfanyl)ethyl 2-iodobenzoate | C28H23IO2S

2-(Tritylsulfanyl)ethyl 2-iodobenzoate

  • Molecular FormulaC28H23IO2S
  • Average mass550.451 Da
  • Monoisotopic mass550.046326 Da
  • ChemSpider ID30656988

More details:

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

2-(Tritylsulfanyl)ethyl 2-iodobenzoate [ACD/IUPAC Name]
2-(Tritylsulfanyl)ethyl-2-iodbenzoat [German] [ACD/IUPAC Name]
2-Iodobenzoate de 2-(tritylsulfanyl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-iodo-, 2-[(triphenylmethyl)thio]ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 593.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.5±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.96
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 369854.84
ACD/KOC (pH 5.5): 336643.09
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 369854.84
ACD/KOC (pH 7.4): 336643.09
Polar Surface Area: 52 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 384.1±3.0 cm3

Click to predict properties on the Chemicalize site


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