CAS Number: 541-05-9
SMILES : C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
CHEM   : Cyclotrisiloxane, hexamethyl-
MOL FOR: C6 H18 O3 Si3 
MOL WT : 222.47
------------------------------ 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) =  4.47
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  113.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  1.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.29  (Modified Grain method)
    VP (Pa, 25 deg C) :  439  (Modified Grain method)
    MP  (exp database):  64.5 deg C
    BP  (exp database):  134 deg C
    VP  (exp database):  3.53E+00 mm Hg (4.71E+002 Pa) at 25 deg C
    Subcooled liquid VP: 8.68 mm Hg (25 deg C, exp database VP )
                       : 1.16E+003 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.571
       log Kow used: 4.47 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.4416 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.35E-002  atm-m3/mole  (6.43E+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:  6.130E-001 atm-m3/mole  (6.211E+004 Pa-m3/mole)
      VP:   3.29 mm Hg (source: MPBPVP)
      WS:   1.57 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.47  (KowWin est)
  Log Kaw used:  0.414  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.056
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6416
   Biowin2 (Non-Linear Model)     :   0.4625
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7076  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5268  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0528
   Biowin6 (MITI Non-Linear Model):   0.0223
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3587
 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):  1.16E+003 Pa (8.68 mm Hg)
  Log Koa (Koawin est  ): 4.056
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.59E-009 
       Octanol/air (Koa) model:  2.79E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.36E-008 
       Mackay model           :  2.07E-007 
       Octanol/air (Koa) model:  2.23E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8976 E-12 cm3/molecule-sec
      Half-Life =    11.916 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.51E-007 (Junge-Pankow, Mackay avg)
      2.23E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1860  L/kg (MCI method)
      Log Koc:  3.270       (MCI method)
      Koc    :  7570  L/kg (Kow method)
      Log Koc:  3.879       (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 = 2.614 (BCF = 411.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7359 days (HL = 5.444 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.105 (BCF = 1274)
   Log BAF Arnot-Gobas method (upper trophic) = 3.122 (BAF = 1324)
       log Kow used: 4.47 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0635 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.536  hours
    Half-Life from Model Lake :      141.8  hours   (5.909 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              97.13  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    33.71  percent
    Total to Air:               63.29  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       34.2            494          1000       
   Water     36.4            900          1000       
   Soil      25.6            1.8e+003     1000       
   Sediment  3.82            8.1e+003     0          
     Persistence Time: 215 hr