ChemSpider 2D Image | 2-(3-Oxobutyl)-1,3-dithiane-2-carbaldehyde | C9H14O2S2

2-(3-Oxobutyl)-1,3-dithiane-2-carbaldehyde

  • Molecular FormulaC9H14O2S2
  • Average mass218.336 Da
  • Monoisotopic mass218.043518 Da
  • ChemSpider ID30904865

More details:

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

1,3-Dithiane-2-carboxaldehyde, 2-(3-oxobutyl)- [ACD/Index Name]
2-(3-Oxobutyl)-1,3-dithian-2-carbaldehyd [German] [ACD/IUPAC Name]
2-(3-Oxobutyl)-1,3-dithiane-2-carbaldehyde [ACD/IUPAC Name]
2-(3-Oxobutyl)-1,3-dithiane-2-carbaldéhyde [French] [ACD/IUPAC Name]
110379-59-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 354.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 155.5±17.9 °C
Index of Refraction: 1.588
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.96
ACD/KOC (pH 5.5): 124.91
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.96
ACD/KOC (pH 7.4): 124.91
Polar Surface Area: 85 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 178.1±3.0 cm3

Click to predict properties on the Chemicalize site


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