(1E)-1-Chloro-3-methyl-1-butene

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) =  2.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  76.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -93.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  73.1  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  87 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  346.3
       log Kow used: 2.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  604.93 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.23E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.905E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.94  (KowWin est)
  Log Kaw used:  0.701  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.239
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5864
   Biowin2 (Non-Linear Model)     :   0.4184
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7949  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5962  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3646
   Biowin6 (MITI Non-Linear Model):   0.2430
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3494
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  9.39E+003 Pa (70.4 mm Hg)
  Log Koa (Koawin est  ): 2.239
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.2E-010 
       Octanol/air (Koa) model:  4.26E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.15E-008 
       Mackay model           :  2.56E-008 
       Octanol/air (Koa) model:  3.4E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.1186 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  15.7146 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    9.091 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    8.168 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.081331 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.162663 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    14.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     7.045 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 1.86E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  124.9
      Log Koc:  2.096 

 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 = 1.567 (BCF = 36.92)
       log Kow used: 2.94 (estimated)

 Volatilization from Water:
    Henry LC:  0.123 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.048  hours
    Half-Life from Model Lake :      97.19  hours   (4.049 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.97  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     2.29  percent
    Total to Air:               95.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19.1            17.3         1000       
   Water     72.3            360          1000       
   Soil      7.57            720          1000       
   Sediment  1.08            3.24e+003    0          
     Persistence Time: 85.1 hr