ChemSpider 2D Image | Dimethyl 4,4'-(1,3-dithiane-2,2-diyl)dibutanoate | C14H24O4S2

Dimethyl 4,4'-(1,3-dithiane-2,2-diyl)dibutanoate

  • Molecular FormulaC14H24O4S2
  • Average mass320.468 Da
  • Monoisotopic mass320.111603 Da
  • ChemSpider ID28691719

More details:

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

1,3-Dithiane-2,2-dibutanoic acid, dimethyl ester [ACD/Index Name]
4,4'-(1,3-Dithiane-2,2-diyl)dibutanoate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4,4'-(1,3-dithiane-2,2-diyl)dibutanoate [ACD/IUPAC Name]
Dimethyl-4,4'-(1,3-dithian-2,2-diyl)dibutanoat [German] [ACD/IUPAC Name]
88589-20-2 [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: 406.0±25.0 °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: 187.5±11.2 °C
Index of Refraction: 1.506
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.95
ACD/KOC (pH 5.5): 1888.47
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.95
ACD/KOC (pH 7.4): 1888.47
Polar Surface Area: 103 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 285.0±3.0 cm3

Click to predict properties on the Chemicalize site


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