CAS Number: 1336-17-0
SMILES : O1OC(OOC(OOC1(C)C)(C)C)(C)C
CHEM   : hexamethyl-1,2,4,5,7,8-hexaoxonane
MOL FOR: C9 H18 O6 
MOL WT : 222.24
------------------------------ 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) =  4.63
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  263.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  64.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00944  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.26  (Modified Grain method)
    Subcooled liquid VP: 0.0221 mm Hg (25 deg C, Mod-Grain method)
                       : 2.95 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.725
       log Kow used: 4.63 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2621 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Peroxy Acids
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.49E-006  atm-m3/mole  (3.53E-001 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:  7.411E-004 atm-m3/mole  (7.509E+001 Pa-m3/mole)
      VP:   0.00944 mm Hg (source: MPBPVP)
      WS:   3.73 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.63  (KowWin est)
  Log Kaw used:  -3.846  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.476
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0900
   Biowin2 (Non-Linear Model)     :   0.0049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0717  (months      )
   Biowin4 (Primary Survey Model) :   3.0668  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2563
   Biowin6 (MITI Non-Linear Model):   0.0707
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6440
 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):  2.95 Pa (0.0221 mm Hg)
  Log Koa (Koawin est  ): 8.476
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-006 
       Octanol/air (Koa) model:  7.35E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.68E-005 
       Mackay model           :  8.14E-005 
       Octanol/air (Koa) model:  0.00584 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.0037 E-12 cm3/molecule-sec
      Half-Life =    10.657 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.91E-005 (Junge-Pankow, Mackay avg)
      0.00584 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.126E+004  L/kg (MCI method)
      Log Koc:  4.051       (MCI method)
      Koc    :  1.042E+004  L/kg (Kow method)
      Log Koc:  4.018       (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 = 2.722 (BCF = 526.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1087 days (HL = 0.7785 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.484 (BCF = 305)
   Log BAF Arnot-Gobas method (upper trophic) = 2.485 (BAF = 305.5)
       log Kow used: 4.63 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.49E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      251.6  hours   (10.48 days)
    Half-Life from Model Lake :       2870  hours   (119.6 days)
 
 Removal In Wastewater Treatment:
    Total removal:              62.69  percent
    Total biodegradation:        0.57  percent
    Total sludge adsorption:    62.05  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.3             256          1000       
   Water     11.7            1.44e+003    1000       
   Soil      77              2.88e+003    1000       
   Sediment  10              1.3e+004     0          
     Persistence Time: 1.88e+003 hr