CAS Number: 111109-77-4
SMILES : COCCCOCCCOC
CHEM   : Propane, oxybis(methoxy-
MOL FOR: C8 H18 O3 
MOL WT : 162.23
------------------------------ 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) =  0.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  187.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.912  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  122  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.499e+004
       log Kow used: 0.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6211e+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 :   3.67E-007  atm-m3/mole  (3.72E-002 Pa-m3/mole)
   Group Method:   4.55E-009  atm-m3/mole  (4.62E-004 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:  7.790E-006 atm-m3/mole  (7.893E-001 Pa-m3/mole)
      VP:   0.912 mm Hg (source: MPBPVP)
      WS:   2.5E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.50  (KowWin est)
  Log Kaw used:  -4.824  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.324
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3718
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8147  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5845  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5312
   Biowin6 (MITI Non-Linear Model):   0.5341
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0611
 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):  111 Pa (0.834 mm Hg)
  Log Koa (Koawin est  ): 5.324
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.7E-008 
       Octanol/air (Koa) model:  5.18E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.74E-007 
       Mackay model           :  2.16E-006 
       Octanol/air (Koa) model:  4.14E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.6132 E-12 cm3/molecule-sec
      Half-Life =     0.318 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.818 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.57E-006 (Junge-Pankow, Mackay avg)
      4.14E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  8.509  L/kg (Kow method)
      Log Koc:  0.930       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2104 days (HL = 0.0616 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.054 (BCF = 1.132)
   Log BAF Arnot-Gobas method (upper trophic) = 0.054 (BAF = 1.132)
       log Kow used: 0.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.55E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.639E+005  hours   (6829 days)
    Half-Life from Model Lake : 1.788E+006  hours   (7.45E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       0.0873          7.64         1000       
   Water     31.4            360          1000       
   Soil      68.4            720          1000       
   Sediment  0.0708          3.24e+003    0          
     Persistence Time: 600 hr