ChemSpider 2D Image | 3-[(4-Iodobenzyl)sulfinyl]benzoic acid | C14H11IO3S

3-[(4-Iodobenzyl)sulfinyl]benzoic acid

  • Molecular FormulaC14H11IO3S
  • Average mass386.205 Da
  • Monoisotopic mass385.947357 Da
  • ChemSpider ID47328634

More details:

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

3-[(4-Iodbenzyl)sulfinyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(4-Iodobenzyl)sulfinyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[(4-iodobenzyl)sulfinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(4-iodophenyl)methyl]sulfinyl]- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 563.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 294.8±27.3 °C
Index of Refraction: 1.747
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 12.66
ACD/KOC (pH 5.5): 71.11
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.32
Polar Surface Area: 74 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 82.7±5.0 dyne/cm
Molar Volume: 207.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement