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CAS Num: 072797-28-5
SMILES : O(C(OCC)c(ccc(OCC)c1OC)c1)CC
CHEM   : Benzene, 4-(diethoxymethyl)-1-ethoxy-2-methoxy-
MOL FOR: C14 H22 O4 
MOL WT : 254.33
------------------------------ 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) =  2.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  318.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000189  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0252  (Modified Grain method)
    Subcooled liquid VP: 0.000727 mm Hg (25 deg C, Mod-Grain method)
                       : 0.097 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  146.4
       log Kow used: 2.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  63.395 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.34E-008  atm-m3/mole  (3.39E-003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  4.320E-007 atm-m3/mole  (4.377E-002 Pa-m3/mole)
      VP:   0.000189 mm Hg (source: MPBPVP)
      WS:   146 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.56  (KowWin est)
  Log Kaw used:  -5.865  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.425
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1956
   Biowin2 (Non-Linear Model)     :   0.0490
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5036  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6156  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5137
   Biowin6 (MITI Non-Linear Model):   0.4022
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1841
 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):  0.0969 Pa (0.000727 mm Hg)
  Log Koa (Koawin est  ): 8.425
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.09E-005 
       Octanol/air (Koa) model:  6.53E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00112 
       Mackay model           :  0.00247 
       Octanol/air (Koa) model:  0.0052 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  70.5808 E-12 cm3/molecule-sec
      Half-Life =     0.152 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.819 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00179 (Junge-Pankow, Mackay avg)
      0.0052 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  116.3  L/kg (MCI method)
      Log Koc:  2.066       (MCI method)
      Koc    :  187  L/kg (Kow method)
      Log Koc:  2.272       (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 = 1.355 (BCF = 22.62 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6270 days (HL = 0.2361 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.429 (BCF = 26.83)
   Log BAF Arnot-Gobas method (upper trophic) = 1.429 (BAF = 26.83)
       log Kow used: 2.56 (estimated)

 Volatilization from Water:
    Henry LC:  3.34E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.796E+004  hours   (1165 days)
    Half-Life from Model Lake : 3.051E+005  hours   (1.271E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               3.28  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.17  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       0.109           3.64         1000       
   Water     20.9            900          1000       
   Soil      78.8            1.8e+003     1000       
   Sediment  0.157           8.1e+003     0          
     Persistence Time: 1.12e+003 hr