Found 40 results

Search term: MF = 'C_{12}H_{18}O_{5}S_{2}'
ChemSpider 2D Image | Diethyl (1,4-dithian-2-ylcarbonyl)malonate | C12H18O5S2

Diethyl (1,4-dithian-2-ylcarbonyl)malonate

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID35532489

More details:

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

(1,4-Dithian-2-ylcarbonyl)malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl (1,4-dithian-2-ylcarbonyl)malonate [ACD/IUPAC Name]
Diethyl-(1,4-dithian-2-ylcarbonyl)malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-(1,4-dithian-2-ylcarbonyl)-, diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 198.8±16.7 °C
Index of Refraction: 1.532
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.36
ACD/KOC (pH 5.5): 846.11
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 76.29
ACD/KOC (pH 7.4): 747.46
Polar Surface Area: 120 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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