ChemSpider 2D Image | Ethyl 8-oxo-8-(3-thienyl)octanoate | C14H20O3S

Ethyl 8-oxo-8-(3-thienyl)octanoate

  • Molecular FormulaC14H20O3S
  • Average mass268.372 Da
  • Monoisotopic mass268.113312 Da
  • ChemSpider ID21398127

More details:

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

3-Thiopheneoctanoic acid, η-oxo-, ethyl ester [ACD/Index Name]
8-Oxo-8-(3-thiényl)octanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 8-oxo-8-(3-thienyl)octanoate [ACD/IUPAC Name]
Ethyl-8-oxo-8-(3-thienyl)octanoat [German] [ACD/IUPAC Name]
898771-78-3 [RN]
ETHYL 8-OXO-8-(THIOPHEN-3-YL)OCTANOATE
ethyl 8-oxo-8-thiophen-3-yloctanoate
MFCD07699062 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.9±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.4±22.3 °C
Index of Refraction: 1.509
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.73
ACD/KOC (pH 5.5): 1447.50
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.73
ACD/KOC (pH 7.4): 1447.50
Polar Surface Area: 72 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 246.0±3.0 cm3

Click to predict properties on the Chemicalize site


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