CAS Num: 013877-91-3
SMILES : C(=CCC=C(C=C)C)(C)C
CHEM   : 1,3,6-Octatriene, 3,7-dimethyl-
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  164.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -64.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.68  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  358  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  73 @ 21 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.012
       log Kow used: 4.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38.089 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.17E-001  atm-m3/mole  (6.25E+004 Pa-m3/mole)
   Group Method:   6.58E-002  atm-m3/mole  (6.67E+003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.388E-001 atm-m3/mole  (2.419E+004 Pa-m3/mole)
      VP:   2.68 mm Hg (source: MPBPVP)
      WS:   2.01 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.80  (KowWin est)
  Log Kaw used:  1.402  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.398
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6827
   Biowin2 (Non-Linear Model)     :   0.7454
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8981  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6512  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3884
   Biowin6 (MITI Non-Linear Model):   0.3150
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2557
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.2323
     BioHC Half-Life (days)     :   1.7074

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  327 Pa (2.45 mm Hg)
  Log Koa (Koawin est  ): 3.398
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-009 
       Octanol/air (Koa) model:  6.14E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.32E-007 
       Mackay model           :  7.35E-007 
       Octanol/air (Koa) model:  4.91E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 230.2420 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.557 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    61.000000 E-17 cm3/molecule-sec
      Half-Life =     0.019 Days (at 7E11 mol/cm3)
      Half-Life =     27.053 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.33E-007 (Junge-Pankow, Mackay avg)
      4.91E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1074  L/kg (MCI method)
      Log Koc:  3.031       (MCI method)
      Koc    :  1.464E+004  L/kg (Kow method)
      Log Koc:  4.166       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.833 (BCF = 680.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8421 days (HL = 6.951 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.282 (BCF = 1913)
   Log BAF Arnot-Gobas method (upper trophic) = 3.334 (BAF = 2160)
       log Kow used: 4.80 (estimated)

 Volatilization from Water:
    Henry LC:  0.0658 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.201  hours
    Half-Life from Model Lake :        111  hours   (4.624 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.49  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    45.09  percent
    Total to Air:               52.23  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.146           0.121        1000       
   Water     65.4            360          1000       
   Soil      32              720          1000       
   Sediment  2.45            3.24e+003    0          
     Persistence Time: 94.2 hr