ChemSpider 2D Image | Ethyl 3-thiophenehexanoate | C12H18O2S

Ethyl 3-thiophenehexanoate

  • Molecular FormulaC12H18O2S
  • Average mass226.335 Da
  • Monoisotopic mass226.102753 Da
  • ChemSpider ID21397382

More details:

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

3-Thiophenehexanoic acid, ethyl ester [ACD/Index Name]
6-(3-Thiényl)hexanoate d'éthyle [French] [ACD/IUPAC Name]
890098-02-9 [RN]
Ethyl 3-thiophenehexanoate
Ethyl 6-(3-thienyl)hexanoate [ACD/IUPAC Name]
Ethyl-6-(3-thienyl)hexanoat [German] [ACD/IUPAC Name]
1224509-07-2 [RN]
ETHYL 6-(THIOPHEN-3-YL)HEXANOATE
ethyl 6-thiophen-3-ylhexanoate
MFCD07698780 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 308.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.5±23.2 °C
Index of Refraction: 1.507
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 452.06
ACD/KOC (pH 5.5): 2768.17
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.06
ACD/KOC (pH 7.4): 2768.17
Polar Surface Area: 55 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

Click to predict properties on the Chemicalize site


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