CAS Num: 029548-02-5
SMILES : C=C(C)C=CC(C=C)(C)C
CHEM   : 1,3,6-HEPTATRIENE, 2,5,5-TRIMETHYL-
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) =  4.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  140.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.91  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.06E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.396
       log Kow used: 4.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26.68 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.43E-001  atm-m3/mole  (4.49E+004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  5.918E-001 atm-m3/mole  (5.996E+004 Pa-m3/mole)
      VP:   7.91 mm Hg (source: MPBPVP)
      WS:   2.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.71  (KowWin est)
  Log Kaw used:  1.258  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.452
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4988
   Biowin2 (Non-Linear Model)     :   0.3432
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6860  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4977  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4190
   Biowin6 (MITI Non-Linear Model):   0.3207
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2515
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8272
     BioHC Half-Life (days)     :   6.7169

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  975 Pa (7.31 mm Hg)
  Log Koa (Koawin est  ): 3.452
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.08E-009 
       Octanol/air (Koa) model:  6.95E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-007 
       Mackay model           :  2.46E-007 
       Octanol/air (Koa) model:  5.56E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 168.7706 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.761 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.440000 E-17 cm3/molecule-sec
      Half-Life =     0.211 Days (at 7E11 mol/cm3)
      Half-Life =      5.056 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.79E-007 (Junge-Pankow, Mackay avg)
      5.56E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  858.5  L/kg (MCI method)
      Log Koc:  2.934       (MCI method)
      Koc    :  1.223E+004  L/kg (Kow method)
      Log Koc:  4.087       (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 = 2.774 (BCF = 594.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6899 days (HL = 4.896 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.156 (BCF = 1432)
   Log BAF Arnot-Gobas method (upper trophic) = 3.180 (BAF = 1513)
       log Kow used: 4.71 (estimated)

 Volatilization from Water:
    Henry LC:  0.443 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.193  hours
    Half-Life from Model Lake :      110.9  hours   (4.62 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.59  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    40.50  percent
    Total to Air:               58.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.62            1.17         1000       
   Water     89              900          1000       
   Soil      5.13            1.8e+003     1000       
   Sediment  4.22            8.1e+003     0          
     Persistence Time: 87.8 hr