CAS Number: 540-97-6
SMILES : C[Si]1(O[Si](O[Si](O[Si](O[Si](C)(C)O[Si](O1)(C)C)(C)C)(C)C)(C)C)C
CHEM   : Cyclohexasiloxane, dodecamethyl-
MOL FOR: C12 H36 O6 Si6 
MOL WT : 444.93
------------------------------ 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) =  6.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  226.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0355  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.74  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -3 deg C
    BP  (exp database):  245 deg C
    VP  (exp database):  2.25E-02 mm Hg (3.00E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.005007
       log Kow used: 6.33 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0051 mg/L (25 deg C)
        Exper. Ref:  KOCHETKOV,A ET AL. (2001)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0020761 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.65E-001  atm-m3/mole  (1.67E+004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.05E-01  atm-m3/mole  (1.06E+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:  4.151E+000 atm-m3/mole  (4.206E+005 Pa-m3/mole)
      VP:   0.0355 mm Hg (source: MPBPVP)
      WS:   0.00501 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.33  (KowWin est)
  Log Kaw used:  0.633  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.697
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5357
   Biowin2 (Non-Linear Model)     :   0.0353
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2159  (months      )
   Biowin4 (Primary Survey Model) :   3.2058  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.6066
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1188
 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):  3 Pa (0.0225 mm Hg)
  Log Koa (Koawin est  ): 5.697
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-006 
       Octanol/air (Koa) model:  1.22E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.61E-005 
       Mackay model           :  8E-005 
       Octanol/air (Koa) model:  9.77E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.7952 E-12 cm3/molecule-sec
      Half-Life =     5.958 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    71.497 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.81E-005 (Junge-Pankow, Mackay avg)
      9.77E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8.695E+005  L/kg (MCI method)
      Log Koc:  5.939       (MCI method)
      Koc    :  3.115E+005  L/kg (Kow method)
      Log Koc:  5.493       (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 = 3.843 (BCF = 6960 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.2083 days (HL = 161.5 days)
   Log BCF Arnot-Gobas method (upper trophic) = 4.187 (BCF = 1.539e+004)
   Log BAF Arnot-Gobas method (upper trophic) = 6.429 (BAF = 2.685e+006)
       log Kow used: 6.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.105 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.164  hours
    Half-Life from Model Lake :      200.5  hours   (8.353 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.38  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    76.73  percent
    Total to Air:               19.16  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.844           143          1000       
   Water     2.08            1.44e+003    1000       
   Soil      37              2.88e+003    1000       
   Sediment  60.1            1.3e+004     0          
     Persistence Time: 3.46e+003 hr