ChemSpider 2D Image | 2-[3-(2-Thienyl)acryloyl]benzoic acid | C14H10O3S

2-[3-(2-Thienyl)acryloyl]benzoic acid

  • Molecular FormulaC14H10O3S
  • Average mass258.292 Da
  • Monoisotopic mass258.035065 Da
  • ChemSpider ID35344049

More details:

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

2-[3-(2-Thienyl)acryloyl]benzoesäure [German] [ACD/IUPAC Name]
2-[3-(2-Thienyl)acryloyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[3-(2-thiényl)acryloyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[1-oxo-3-(2-thienyl)-2-propen-1-yl]- [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: 472.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 239.6±28.7 °C
Index of Refraction: 1.679
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.06
ACD/KOC (pH 5.5): 14.30
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 83 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

Click to predict properties on the Chemicalize site


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