ChemSpider 2D Image | Butyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate | C12H16O4S

Butyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate

  • Molecular FormulaC12H16O4S
  • Average mass256.318 Da
  • Monoisotopic mass256.076935 Da
  • ChemSpider ID21398144

More details:

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

2-Thiophenecarboxylic acid, 5-(1,3-dioxolan-2-yl)-, butyl ester [ACD/Index Name]
5-(1,3-Dioxolan-2-yl)-2-thiophènecarboxylate de butyle [French] [ACD/IUPAC Name]
898772-14-0 [RN]
Butyl 5-(1,3-dioxolan-2-yl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Butyl-5-(1,3-dioxolan-2-yl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]
butyl 5-(1,3-dioxolan-2-yl)thiophene-2-carboxylate
MFCD07699078 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 373.2±42.0 °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: 179.5±27.9 °C
Index of Refraction: 1.531
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.24
ACD/KOC (pH 5.5): 606.82
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.24
ACD/KOC (pH 7.4): 606.82
Polar Surface Area: 73 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 211.9±3.0 cm3

Click to predict properties on the Chemicalize site


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