Isoprene

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) =  2.58
    Log Kow (Exper. database match) =  2.42
       Exper. Ref:  Chem Inspect Test Inst (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  34.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -118.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  551  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -145.9 deg C
    BP  (exp database):  34 deg C
    VP  (exp database):  5.50E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  338.6
       log Kow used: 2.42 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  642 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1186.5 mg/L
    Wat Sol (Exper. database match) =  642.00
       Exper. Ref:  MCAULIFFE,C (1966)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.22E-001  atm-m3/mole
   Group Method:   6.14E-002  atm-m3/mole
   Exper Database: 7.67E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.459E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.42  (exp database)
  Log Kaw used:  0.496  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.924
      Log Koa (experimental database):  2.060

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7151
   Biowin2 (Non-Linear Model)     :   0.8851
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0486  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7495  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5408
   Biowin6 (MITI Non-Linear Model):   0.6729
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3889
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3597
     BioHC Half-Life (days)     :   2.2892

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.33E+004 Pa (550 mm Hg)
  Log Koa (Exp database): 2.060
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.09E-011 
       Octanol/air (Koa) model:  2.82E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.48E-009 
       Mackay model           :  3.27E-009 
       Octanol/air (Koa) model:  2.25E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.1360 E-12 cm3/molecule-sec
      Half-Life =     0.102 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.221 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.400000 E-17 cm3/molecule-sec
      Half-Life =     0.819 Days (at 7E11 mol/cm3)
      Half-Life =     19.646 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 2.38E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 1.163 (BCF = 14.57)
       log Kow used: 2.42 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0767 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.8485  hours   (50.91 min)
    Half-Life from Model Lake :      78.46  hours   (3.269 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.76  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.92  percent
    Total to Air:               95.81  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.75            2.24         1000       
   Water     90.3            360          1000       
   Soil      5.43            720          1000       
   Sediment  0.555           3.24e+003    0          
     Persistence Time: 68.2 hr