CAS Num: 068527-82-2
SMILES : O(C(OCCCCCCCC)CCCCCCC)CCCCCCCC
CHEM   : Octane, 1,1-bis(octyloxy)-
MOL FOR: C24 H50 O2 
MOL WT : 370.67
------------------------------ 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) =  10.04

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  397.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  117.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.67E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000356  (Modified Grain method)
    Subcooled liquid VP: 2.2E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00294 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.226e-005
       log Kow used: 10.04 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.4496e-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 :   1.94E-002  atm-m3/mole  (1.97E+003 Pa-m3/mole)
   Group Method:   4.99E-002  atm-m3/mole  (5.06E+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:  1.062E-001 atm-m3/mole  (1.076E+004 Pa-m3/mole)
      VP:   2.67E-006 mm Hg (source: MPBPVP)
      WS:   1.23E-005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.04  (KowWin est)
  Log Kaw used:  -0.101  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.141
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2017
   Biowin2 (Non-Linear Model)     :   0.0271
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2577  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1007  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5512
   Biowin6 (MITI Non-Linear Model):   0.5397
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5164
 Ready Biodegradability Prediction:   YES

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00293 Pa (2.2E-005 mm Hg)
  Log Koa (Koawin est  ): 10.141
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00102 
       Octanol/air (Koa) model:  0.0034 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0356 
       Mackay model           :  0.0756 
       Octanol/air (Koa) model:  0.214 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  53.1088 E-12 cm3/molecule-sec
      Half-Life =     0.201 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.417 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0556 (Junge-Pankow, Mackay avg)
      0.214 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.575E+005  L/kg (MCI method)
      Log Koc:  5.553       (MCI method)
      Koc    :  1.983E+006  L/kg (Kow method)
      Log Koc:  6.297       (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 = 2.036 (BCF = 108.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6833 days (HL = 48.23 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.938 (BCF = 8.661)
   Log BAF Arnot-Gobas method (upper trophic) = 3.998 (BAF = 9953)
       log Kow used: 10.04 (estimated)

 Volatilization from Water:
    Henry LC:  0.0194 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.023  hours
    Half-Life from Model Lake :      183.5  hours   (7.646 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       0.774           4.83         1000       
   Water     27.4            208          1000       
   Soil      71.5            416          1000       
   Sediment  0.326           1.87e+003    0          
     Persistence Time: 280 hr