Isobutyl cyanoacrylate C8H11NO2 structure

Flashcard maker : Lily Taylor

C8H11NO2 structure
Molecular Formula C8H11NO2
Average mass 153.178 Da
Density 1.0±0.1 g/cm3
Boiling Point 225.7±23.0 °C at 760 mmHg
Flash Point 96.5±9.4 °C
Molar Refractivity 40.3±0.3 cm3
Polarizability 16.0±0.5 10-24cm3
Surface Tension 33.0±3.0 dyne/cm
Molar Volume 152.7±3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density: 1.0±0.1 g/cm3
Boiling Point: 225.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.2±3.0 kJ/mol
Flash Point: 96.5±9.4 °C
Index of Refraction: 1.441
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.84
ACD/KOC (pH 5.5): 151.93
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.84
ACD/KOC (pH 7.4): 151.93
Polar Surface Area: 50 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 152.7±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 2.33

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 230.81 (Adapted Stein & Brown method)
 Melting Pt (deg C): 2.24 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0749 (Mean VP of Antoine & Grain methods)
 MP (exp database):  8 at 25 deg C : 1.752E-003 L/mol-sec
 Kb Half-Life at pH 8: 12.537 years 
 Kb Half-Life at pH 7: 125.369 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 1.091 (BCF = 12.33)
 log Kow used: 2.33 (estimated)

 Volatilization from Water:
 Henry LC: 4.82E-007 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 1505 hours (62.69 days)
 Half-Life from Model Lake : 1.652E+004 hours (688.3 days)

 Removal In Wastewater Treatment:
 Total removal: 2.72 percent
 Total biodegradation: 0.10 percent
 Total sludge adsorption: 2.60 percent
 Total to Air: 0.03 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 1.92 34.1 1000 
 Water 26.4 360 1000 
 Soil 71.5 720 1000 
 Sediment 0.142 3.24e+003 0 
 Persistence Time: 489 hr




 

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