ChemSpider 2D Image | (2E)-1-(3-Iodo-2-thienyl)-2-buten-1-one | C8H7IOS

(2E)-1-(3-Iodo-2-thienyl)-2-buten-1-one

  • Molecular FormulaC8H7IOS
  • Average mass278.110 Da
  • Monoisotopic mass277.926208 Da
  • ChemSpider ID61931691
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-1-(3-Iod-2-thienyl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2E)-1-(3-Iodo-2-thienyl)-2-buten-1-one [ACD/IUPAC Name]
(2E)-1-(3-Iodo-2-thiényl)-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 1-(3-iodo-2-thienyl)-, (2E)- [ACD/Index Name]
2092882-70-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 319.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 146.8±27.9 °C
Index of Refraction: 1.634
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.68
ACD/KOC (pH 5.5): 695.85
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.68
ACD/KOC (pH 7.4): 695.85
Polar Surface Area: 45 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 159.1±3.0 cm3

Click to predict properties on the Chemicalize site






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