ChemSpider 2D Image | 2-(5-Benzoyl-2-thienyl)(2-~2~H)propanoic acid | C14H11DO3S

2-(5-Benzoyl-2-thienyl)(2-2H)propanoic acid

  • Molecular FormulaC14H11DO3S
  • Average mass261.314 Da
  • Monoisotopic mass261.056976 Da
  • ChemSpider ID8530741

  • Non-standard isotope - Non-standard isotope

More details:

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

2-(5-Benzoyl-2-thienyl)(2-2H)propanoic acid [ACD/IUPAC Name]
2-(5-Benzoyl-2-thienyl)(2-2H)propansäure [German] [ACD/IUPAC Name]
2-Thiopheneacetic-d acid, 5-benzoyl-α-methyl- [ACD/Index Name]
Acide 2-(5-benzoyl-2-thiényl)(2-2H)propanoïque [French] [ACD/IUPAC 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: 450.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 226.1±25.9 °C
Index of Refraction: 1.613
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 35.44
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 201.7±3.0 cm3

Click to predict properties on the Chemicalize site


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