ChemSpider 2D Image | 5-(1,3-Dioxolan-2-yl)-2-thienyl hexyl ketone | C14H20O3S

5-(1,3-Dioxolan-2-yl)-2-thienyl hexyl ketone

  • Molecular FormulaC14H20O3S
  • Average mass268.372 Da
  • Monoisotopic mass268.113312 Da
  • ChemSpider ID21398134

More details:

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

1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-1-heptanon [German] [ACD/IUPAC Name]
1-[5-(1,3-Dioxolan-2-yl)-2-thienyl]-1-heptanone [ACD/IUPAC Name]
1-[5-(1,3-Dioxolan-2-yl)-2-thiényl]-1-heptanone [French] [ACD/IUPAC Name]
1-Heptanone, 1-[5-(1,3-dioxolan-2-yl)-2-thienyl]- [ACD/Index Name]
5-(1,3-Dioxolan-2-yl)-2-thienyl hexyl ketone
898771-90-9 [RN]
1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]heptan-1-one
97%
MFCD07699068 [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: 406.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 199.9±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 324.83
ACD/KOC (pH 5.5): 2184.97
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 324.83
ACD/KOC (pH 7.4): 2184.97
Polar Surface Area: 64 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site


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