Isocyanoethane

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

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.37

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -33.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -138.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.89E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9295
       log Kow used: 1.37 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13549 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.11E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.926E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.37  (KowWin est)
  Log Kaw used:  0.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.050
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7760
   Biowin2 (Non-Linear Model)     :   0.9429
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0026  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6997  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5981
   Biowin6 (MITI Non-Linear Model):   0.7997
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6681
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.83E+005 Pa (4.37E+003 mm Hg)
  Log Koa (Koawin est  ): 1.050
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.15E-012 
       Octanol/air (Koa) model:  2.75E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.86E-010 
       Mackay model           :  4.12E-010 
       Octanol/air (Koa) model:  2.2E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1013 E-12 cm3/molecule-sec
      Half-Life =     9.712 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   116.548 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.99E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.353 (BCF = 2.254)
       log Kow used: 1.37 (estimated)

 Volatilization from Water:
    Henry LC:  0.0511 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:     0.7658  hours   (45.95 min)
    Half-Life from Model Lake :      70.58  hours   (2.941 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.20  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.38  percent
    Total to Air:               94.80  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       49.9            233          1000       
   Water     48.8            360          1000       
   Soil      1.2             720          1000       
   Sediment  0.109           3.24e+003    0          
     Persistence Time: 126 hr