ChemSpider 2D Image | Methyl [5-(4-iodobenzoyl)-2-thienyl]acetate | C14H11IO3S

Methyl [5-(4-iodobenzoyl)-2-thienyl]acetate

  • Molecular FormulaC14H11IO3S
  • Average mass386.205 Da
  • Monoisotopic mass385.947357 Da
  • ChemSpider ID44987083

More details:

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

[5-(4-Iodobenzoyl)-2-thiényl]acétate de méthyle [French] [ACD/IUPAC Name]
2-Thiopheneacetic acid, 5-(4-iodobenzoyl)-, methyl ester [ACD/Index Name]
Methyl [5-(4-iodobenzoyl)-2-thienyl]acetate [ACD/IUPAC Name]
Methyl-[5-(4-iodbenzoyl)-2-thienyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 460.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.1±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 316.05
ACD/KOC (pH 5.5): 2142.57
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 316.05
ACD/KOC (pH 7.4): 2142.57
Polar Surface Area: 72 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 231.9±3.0 cm3

Click to predict properties on the Chemicalize site


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