(3Z)-1,3-Hexadiene

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
    Log Kow (Exper. database match) =  3.16
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  77.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -95.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  126  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -102.4 deg C
    BP  (exp database):  73.2 deg C
    VP  (exp database):  1.29E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  75.32
       log Kow used: 3.16 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  540.55 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.62E-001  atm-m3/mole
   Group Method:   1.17E-001  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.808E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.16  (exp database)
  Log Kaw used:  0.821  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.339
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8169
   Biowin2 (Non-Linear Model)     :   0.9755
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3160  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9983  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5485
   Biowin6 (MITI Non-Linear Model):   0.6782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0972
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4261
     BioHC Half-Life (days)     :   2.6674

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.72E+004 Pa (129 mm Hg)
  Log Koa (Koawin est  ): 2.339
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.74E-010 
       Octanol/air (Koa) model:  5.36E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.3E-009 
       Mackay model           :  1.4E-008 
       Octanol/air (Koa) model:  4.29E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 106.1013 E-12 cm3/molecule-sec
      Half-Life =     0.101 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.210 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.260000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.229 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 1.01E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  149
      Log Koc:  2.173 

 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 = 1.733 (BCF = 54.1)
       log Kow used: 3.16 (expkow database)

 Volatilization from Water:
    Henry LC:  0.117 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:     0.9294  hours   (55.77 min)
    Half-Life from Model Lake :      86.14  hours   (3.589 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.88  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.55  percent
    Total to Air:               94.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.81            1.59         1000       
   Water     79.2            208          1000       
   Soil      16.6            416          1000       
   Sediment  1.3             1.87e+003    0          
     Persistence Time: 61.6 hr