ChemSpider 2D Image | Ethyl 2-(6-methoxy-6-oxohexyl)-1,3-dithiane-2-carboxylate | C14H24O4S2

Ethyl 2-(6-methoxy-6-oxohexyl)-1,3-dithiane-2-carboxylate

  • Molecular FormulaC14H24O4S2
  • Average mass320.468 Da
  • Monoisotopic mass320.111603 Da
  • ChemSpider ID28595106

More details:

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

1,3-Dithiane-2-hexanoic acid, 2-(ethoxycarbonyl)-, methyl ester [ACD/Index Name]
2-(6-Méthoxy-6-oxohexyl)-1,3-dithiane-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-(6-methoxy-6-oxohexyl)-1,3-dithiane-2-carboxylate [ACD/IUPAC Name]
Ethyl-2-(6-methoxy-6-oxohexyl)-1,3-dithian-2-carboxylat [German] [ACD/IUPAC Name]
823813-61-2 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 188.0±16.7 °C
Index of Refraction: 1.512
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.81
ACD/KOC (pH 5.5): 2593.94
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.81
ACD/KOC (pH 7.4): 2593.94
Polar Surface Area: 103 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement