ChemSpider 2D Image | 2-[(2-Carboxyethyl)sulfonyl]benzoic acid | C10H10O6S

2-[(2-Carboxyethyl)sulfonyl]benzoic acid

  • Molecular FormulaC10H10O6S
  • Average mass258.248 Da
  • Monoisotopic mass258.019806 Da
  • ChemSpider ID58600465

More details:

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

2-[(2-Carboxyethyl)sulfonyl]benzoesäure [German] [ACD/IUPAC Name]
2-[(2-Carboxyethyl)sulfonyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[(2-carboxyéthyl)sulfonyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(2-carboxyethyl)sulfonyl]- [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: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.0±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement