ChemSpider 2D Image | 3,5-Bis(tritylthio)benzoic acid | C45H34O2S2

3,5-Bis(tritylthio)benzoic acid

  • Molecular FormulaC45H34O2S2
  • Average mass670.880 Da
  • Monoisotopic mass670.200012 Da
  • ChemSpider ID25944215

More details:

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

3,5-Bis(tritylsulfanyl)benzoesäure [German] [ACD/IUPAC Name]
3,5-Bis(tritylsulfanyl)benzoic acid [ACD/IUPAC Name]
3,5-Bis(tritylthio)benzoic acid
Acide 3,5-bis(tritylsulfanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis[(triphenylmethyl)thio]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.6±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 206.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.77
ACD/LogD (pH 5.5): 8.93
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 393941.13
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 51608.12
ACD/KOC (pH 7.4): 12187.86
Polar Surface Area: 88 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 514.4±5.0 cm3

Click to predict properties on the Chemicalize site


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