CAS Number: 67785-67-5
SMILES : O(C(OCCC(CCC=C(C)C)C)CCCCCCCCC=C)CCC(CCC=C(C)C)C
CHEM   : 1-Undecene, 11,11-bis (3,7-dimethyl-6-octenyl)oxy -
MOL FOR: C31 H58 O2 
MOL WT : 462.81
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  12.88
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  465.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  133.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.73E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.31E-006  (Modified Grain method)
    Subcooled liquid VP: 5.84E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 7.78E-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):  1.234e-008
       log Kow used: 12.88 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6281e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.13E-001  atm-m3/mole  (1.15E+004 Pa-m3/mole)
   Group Method:   1.34E-002  atm-m3/mole  (1.36E+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:  2.334E+000 atm-m3/mole  (2.365E+005 Pa-m3/mole)
      VP:   4.73E-008 mm Hg (source: MPBPVP)
      WS:   1.23E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  12.88  (KowWin est)
  Log Kaw used:  0.665  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.215
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1675
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1591  (months      )
   Biowin4 (Primary Survey Model) :   3.1605  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0103
   Biowin6 (MITI Non-Linear Model):   0.0145
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6052
 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):  7.79E-005 Pa (5.84E-007 mm Hg)
  Log Koa (Koawin est  ): 12.215
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0385 
       Octanol/air (Koa) model:  0.403 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.582 
       Mackay model           :  0.755 
       Octanol/air (Koa) model:  0.97 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 253.8033 E-12 cm3/molecule-sec
      Half-Life =     0.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.506 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    87.199997 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.925 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.668 (Junge-Pankow, Mackay avg)
      0.97 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.309E+007  L/kg (MCI method)
      Log Koc:  7.117       (MCI method)
      Koc    :  7.383E+007  L/kg (Kow method)
      Log Koc:  7.868       (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 = 1.242 (BCF = 17.46 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.9668 days (HL = 926.5 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.013 (BCF = 0.9695)
   Log BAF Arnot-Gobas method (upper trophic) = 2.547 (BAF = 352.7)
       log Kow used: 12.88 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.113 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.206  hours
    Half-Life from Model Lake :      204.5  hours   (8.519 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       0.00715         0.24         1000       
   Water     14              1.44e+003    1000       
   Soil      86              2.88e+003    1000       
   Sediment  0.0387          1.3e+004     0          
     Persistence Time: 1.61e+003 hr