CAS Num: 067634-04-2
SMILES : O(C(OCCC(CCC=C(C)C)C)Cc(cccc1)c1)CCC(CCC=C(C)C)C
CHEM   : Benzene, [2,2-bis[(3,7-dimethyl-6-octenyl)oxy]ethyl]-
MOL FOR: C28 H46 O2 
MOL WT : 414.68
------------------------------ 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) =  10.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  445.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  133.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.14E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.85E-006  (Modified Grain method)
    Subcooled liquid VP: 6.28E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 8.37E-005 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.925e-006
       log Kow used: 10.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.431e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.58E-004  atm-m3/mole  (9.71E+001 Pa-m3/mole)
   Group Method:   3.97E-005  atm-m3/mole  (4.02E+000 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:  7.145E-003 atm-m3/mole  (7.240E+002 Pa-m3/mole)
      VP:   5.14E-008 mm Hg (source: MPBPVP)
      WS:   3.92E-006 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.31  (KowWin est)
  Log Kaw used:  -1.407  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.717
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0382
   Biowin2 (Non-Linear Model)     :   0.0006
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2126  (months      )
   Biowin4 (Primary Survey Model) :   3.1663  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2750
   Biowin6 (MITI Non-Linear Model):   0.0028
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9733
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.37E-005 Pa (6.28E-007 mm Hg)
  Log Koa (Koawin est  ): 11.717
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0358 
       Octanol/air (Koa) model:  0.128 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.564 
       Mackay model           :  0.741 
       Octanol/air (Koa) model:  0.911 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 222.4571 E-12 cm3/molecule-sec
      Half-Life =     0.048 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.577 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.653 (Junge-Pankow, Mackay avg)
      0.911 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.208E+006  L/kg (MCI method)
      Log Koc:  6.344       (MCI method)
      Koc    :  2.797E+006  L/kg (Kow method)
      Log Koc:  6.447       (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 = 1.908 (BCF = 80.85 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9511 days (HL = 89.35 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.912 (BCF = 8.157)
   Log BAF Arnot-Gobas method (upper trophic) = 4.195 (BAF = 1.567e+004)
       log Kow used: 10.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.000958 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.323  hours
    Half-Life from Model Lake :        207  hours   (8.625 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00722         0.25         1000       
   Water     13.5            1.44e+003    1000       
   Soil      84.2            2.88e+003    1000       
   Sediment  2.33            1.3e+004     0          
     Persistence Time: 1.65e+003 hr