ChemSpider 2D Image | Ethyl 5-(3-thienyl)pentanoate | C11H16O2S

Ethyl 5-(3-thienyl)pentanoate

  • Molecular FormulaC11H16O2S
  • Average mass212.309 Da
  • Monoisotopic mass212.087097 Da
  • ChemSpider ID21397381

More details:

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

3-Thiophenepentanoic acid, ethyl ester [ACD/Index Name]
5-(3-Thiényl)pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(3-thienyl)pentanoate [ACD/IUPAC Name]
Ethyl-5-(3-thienyl)pentanoat [German] [ACD/IUPAC Name]
890098-01-8 [RN]
97%
ETHYL 5-(THIOPHEN-3-YL)PENTANOATE
ethyl 5-thiophen-3-ylpentanoate
MFCD07698779 [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: 292.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 130.5±22.6 °C
Index of Refraction: 1.510
Molar Refractivity: 59.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.11
ACD/KOC (pH 5.5): 1615.94
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.11
ACD/KOC (pH 7.4): 1615.94
Polar Surface Area: 55 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site


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