CAS Num: 003016-19-1
SMILES : C(=CC=CC(=CC)C)(C)C
CHEM   : 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-
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) =  4.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  172.65  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.911  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  122  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -20.6 deg C
    BP  (exp database):  188 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.348
       log Kow used: 4.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  81.437 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.93E-001  atm-m3/mole  (6.01E+004 Pa-m3/mole)
   Group Method:   3.79E-002  atm-m3/mole  (3.84E+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:  6.955E-002 atm-m3/mole  (7.047E+003 Pa-m3/mole)
      VP:   0.911 mm Hg (source: MPBPVP)
      WS:   2.35 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.72  (KowWin est)
  Log Kaw used:  1.385  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.335
      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)    :   0.3332
   Biowin6 (MITI Non-Linear Model):   0.2287
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2237
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.0757
     BioHC Half-Life (days)     :   1.1904

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  111 Pa (0.833 mm Hg)
  Log Koa (Koawin est  ): 3.335
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.7E-008 
       Octanol/air (Koa) model:  5.31E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.76E-007 
       Mackay model           :  2.16E-006 
       Octanol/air (Koa) model:  4.25E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 235.9090 E-12 cm3/molecule-sec
      Half-Life =     0.045 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.544 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    41.616249 E-17 cm3/molecule-sec
      Half-Life =     0.028 Days (at 7E11 mol/cm3)
      Half-Life =     39.654 Min
   Fraction sorbed to airborne particulates (phi):
      1.57E-006 (Junge-Pankow, Mackay avg)
      4.25E-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    :  1.248E+004  L/kg (Kow method)
      Log Koc:  4.096       (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 = 2.781 (BCF = 604.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9400 days (HL = 8.709 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.316 (BCF = 2071)
   Log BAF Arnot-Gobas method (upper trophic) = 3.380 (BAF = 2400)
       log Kow used: 4.72 (estimated)

 Volatilization from Water:
    Henry LC:  0.0379 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.209  hours
    Half-Life from Model Lake :      111.1  hours   (4.628 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.80  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    43.75  percent
    Total to Air:               51.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.402           0.411        1000       
   Water     54.5            360          1000       
   Soil      43.1            720          1000       
   Sediment  2.04            3.24e+003    0          
     Persistence Time: 113 hr