ChemSpider 2D Image | ICI-85966 | C28H34Cl4N2O4

ICI-85966

  • Molecular FormulaC28H34Cl4N2O4
  • Average mass604.393 Da
  • Monoisotopic mass602.127258 Da
  • ChemSpider ID2300916
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-3-Hexen-3,4-diyldi-4,1-phenylen-bis[bis(2-chlorethyl)carbamat] [German] [ACD/IUPAC Name]
(3E)-3-Hexene-3,4-diyldi-4,1-phenylene bis[bis(2-chloroethyl)carbamate] [ACD/IUPAC Name]
Bis[bis(2-chloroéthyl)carbamate] de (3E)-3-hexène-3,4-diyldi-4,1-phénylène [French] [ACD/IUPAC Name]
Carbamic acid, N,N-bis(2-chloroethyl)-, [(E)-1,2-diethyl-1,2-ethenediyl]di-4,1-phenylene ester [ACD/Index Name]
15470-58-3 [RN]
37223-80-6 [RN]
991-23-1 [RN]
Carbamic acid, bis(2-chloroethyl)-, (1,2-diethyl-1,2-ethenediyl)di-4,1-phenylene ester, (E)-
Stilbostat [Trade name]

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

ICI-85966 [DBID] [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 671.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 186361.28
ACD/KOC (pH 5.5): 206108.98
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 186361.28
ACD/KOC (pH 7.4): 206108.98
Polar Surface Area: 59 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 479.7±3.0 cm3

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