ChemSpider 2D Image | Dimethyl 2,2'-[(4,5-dicyano-1,2-phenylene)disulfanediyl]diacetate | C14H12N2O4S2

Dimethyl 2,2'-[(4,5-dicyano-1,2-phenylene)disulfanediyl]diacetate

  • Molecular FormulaC14H12N2O4S2
  • Average mass336.386 Da
  • Monoisotopic mass336.023834 Da
  • ChemSpider ID21132183

More details:

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

2,2'-[(4,5-Dicyano-1,2-phénylène)disulfanediyl]diacétate de diméthyle [French] [ACD/IUPAC Name]
Acetic acid, 2,2'-[(4,5-dicyano-1,2-phenylene)bis(thio)]bis-, dimethyl ester [ACD/Index Name]
Dimethyl 2,2'-[(4,5-dicyano-1,2-phenylene)disulfanediyl]diacetate [ACD/IUPAC Name]
Dimethyl-2,2'-[(4,5-dicyan-1,2-phenylen)disulfandiyl]diacetat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 477.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.6±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.72
ACD/KOC (pH 5.5): 450.00
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.72
ACD/KOC (pH 7.4): 450.00
Polar Surface Area: 151 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 241.8±5.0 cm3

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