CAS Number: 67923-85-7
SMILES : OC(CCCC(CC(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C)(C)C
CHEM   : 2-Octanol, 8,8-bis(isotridecyloxy)-2,6-dimethyl-
MOL FOR: C36 H74 O3 
MOL WT : 554.99
------------------------------ 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) =  14.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  538.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  214.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.13E-013  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.51E-011  (Modified Grain method)
    Subcooled liquid VP: 1.19E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 1.59E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.573e-010
       log Kow used: 14.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.5499e-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 :   2.13E-005  atm-m3/mole  (2.15E+000 Pa-m3/mole)
   Group Method:   6.74E-005  atm-m3/mole  (6.83E+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:  9.625E-005 atm-m3/mole  (9.753E+000 Pa-m3/mole)
      VP:   1.13E-013 mm Hg (source: MPBPVP)
      WS:   8.57E-010 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  14.14  (KowWin est)
  Log Kaw used:  -3.060  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.200
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3953
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7433  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8741  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1178
   Biowin6 (MITI Non-Linear Model):   0.0367
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6093
 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):  1.59E-009 Pa (1.19E-011 mm Hg)
  Log Koa (Koawin est  ): 17.200
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.89E+003 
       Octanol/air (Koa) model:  3.89E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  71.7217 E-12 cm3/molecule-sec
      Half-Life =     0.149 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.790 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.713E+007  L/kg (MCI method)
      Log Koc:  7.234       (MCI method)
      Koc    :  1.425E+008  L/kg (Kow method)
      Log Koc:  8.154       (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 = 0.625 (BCF = 4.214 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.5724 days (HL = 373.6 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8959)
   Log BAF Arnot-Gobas method (upper trophic) = 1.092 (BAF = 12.35)
       log Kow used: 14.14 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.13E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      67.16  hours   (2.798 days)
    Half-Life from Model Lake :      930.2  hours   (38.76 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       0.029           3.58         1000       
   Water     5.92            4.32e+003    1000       
   Soil      94.1            8.64e+003    1000       
   Sediment  0.0019          3.89e+004    0          
     Persistence Time: 4.92e+003 hr