CAS Number: 9051-49-4
SMILES : OCC(C)OCC(C)OCC(C)OCC(COC(C)COC(C)COC(C)CO)(COCC(C)OCC(C)OCC(C)O)COCC
         (C)OCC(C)OCC(C)O
CHEM   : Poly[oxy(methyl-1,2-ethanediyl)], -hydro- -hydroxy-, etherwith 2,2-bi
         s(hydroxymethyl)-1,3-propanediol (4:1)
MOL FOR: C41 H84 O16 
MOL WT : 833.12
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
 Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
    Water Solubility (mg/L):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  -1.05
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  793.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.1E-025  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.14E-023  (Modified Grain method)
    Subcooled liquid VP: 1.58E-021 mm Hg (25 deg C, Mod-Grain method)
                       : 2.11E-019 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  35.25
       log Kow used: -1.05 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.43E-030  atm-m3/mole  (2.46E-025 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:  9.640E-027 atm-m3/mole  (9.768E-022 Pa-m3/mole)
      VP:   3.1E-025 mm Hg (source: MPBPVP)
      WS:   35.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.05  (KowWin est)
  Log Kaw used:  -28.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  26.953
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -3.3664
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6818  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8932  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.8490
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -4.5833
 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):  2.11E-019 Pa (1.58E-021 mm Hg)
  Log Koa (Koawin est  ): 26.953
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E+013 
       Octanol/air (Koa) model:  2.2E+014 
   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 = 270.9799 E-12 cm3/molecule-sec
      Half-Life =     0.039 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.419 Min
   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    :  7.621E+005  L/kg (MCI method)
      Log Koc:  5.882       (MCI method)
      Koc    :  0.07713  L/kg (Kow method)
      Log Koc:  -1.113      (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.5534 days (HL = 0.0002796 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8947)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8947)
       log Kow used: -1.05 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.43E-030 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.954E+026  hours   (2.898E+025 days)
    Half-Life from Model Lake : 7.587E+027  hours   (3.161E+026 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       4.27e-009       0.947        1000       
   Water     0.915           4.32e+003    1000       
   Soil      57              8.64e+003    1000       
   Sediment  42.1            3.89e+004    0          
     Persistence Time: 1.38e+004 hr