Dimethylbutadiene

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) =  3.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  53.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -114.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  150  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -76 deg C
    BP  (exp database):  68.8 deg C
    VP  (exp database):  1.52E+02 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  80.28
       log Kow used: 3.13 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  326 mg/L (25 deg C)
        Exper. Ref:  HINE,J & MOOKERJEE,PK (1975)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  682.81 mg/L
    Wat Sol (Exper. database match) =  326.00
       Exper. Ref:  HINE,J & MOOKERJEE,PK (1975)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.91E-001  atm-m3/mole
   Group Method:   5.35E-002  atm-m3/mole
   Exper Database: 5.04E-02  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.020E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.13  (KowWin est)
  Log Kaw used:  0.314  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.816
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7084
   Biowin2 (Non-Linear Model)     :   0.8632
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0176  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7292  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4933
   Biowin6 (MITI Non-Linear Model):   0.5762
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3828
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.2694
     BioHC Half-Life (days)     :   1.8597

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.03E+004 Pa (152 mm Hg)
  Log Koa (Koawin est  ): 2.816
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E-010 
       Octanol/air (Koa) model:  1.61E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.35E-009 
       Mackay model           :  1.18E-008 
       Octanol/air (Koa) model:  1.29E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 142.2720 E-12 cm3/molecule-sec
      Half-Life =     0.075 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.902 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    18.000000 E-17 cm3/molecule-sec
      Half-Life =     0.064 Days (at 7E11 mol/cm3)
      Half-Life =      1.528 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 8.59E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 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 = 1.708 (BCF = 51.08)
       log Kow used: 3.13 (estimated)

 Volatilization from Water:
    Henry LC:  0.0504 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.9354  hours   (56.12 min)
    Half-Life from Model Lake :       86.2  hours   (3.592 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.23  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.45  percent
    Total to Air:               91.75  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.18            0.885        1000       
   Water     72.3            360          1000       
   Soil      25              720          1000       
   Sediment  1.55            3.24e+003    0          
     Persistence Time: 85.2 hr