CAS Number: 23850-94-4
SMILES : O=C(O[Sn](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)CCCC)C(CC)CCCC
CHEM   : Stannane, butyltris[(2-ethyl-1-oxohexyl)oxy]-
MOL FOR: C28 H54 O6 Sn1 
MOL WT : 605.45
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  7.01
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  489.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  192.03  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.77E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.17E-007  (Modified Grain method)
    Subcooled liquid VP: 4.96E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 6.61E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0001529
       log Kow used: 7.01 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.3925e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       SHOULD NOT BE PROFILED 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.79E-004  atm-m3/mole  (8.91E+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:  4.569E-006 atm-m3/mole  (4.630E-001 Pa-m3/mole)
      VP:   8.77E-010 mm Hg (source: MPBPVP)
      WS:   0.000153 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.01  (KowWin est)
  Log Kaw used:  -1.444  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.454
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8930
   Biowin2 (Non-Linear Model)     :   0.8565
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0546  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0505  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3646
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0995
 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):  6.61E-006 Pa (4.96E-008 mm Hg)
  Log Koa (Koawin est  ): 8.454
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.454 
       Octanol/air (Koa) model:  6.98E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.942 
       Mackay model           :  0.973 
       Octanol/air (Koa) model:  0.00555 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.3218 E-12 cm3/molecule-sec
      Half-Life =     0.321 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.852 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.958 (Junge-Pankow, Mackay avg)
      0.00555 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.358E+006  L/kg (MCI method)
      Log Koc:  6.133       (MCI method)
      Koc    :  2.208E+004  L/kg (Kow method)
      Log Koc:  4.344       (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 = 4.923 (BCF = 8.374e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7060 days (HL = 5.081 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.809 (BCF = 644.1)
   Log BAF Arnot-Gobas method (upper trophic) = 3.833 (BAF = 6810)
       log Kow used: 7.01 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000879 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       4.15  hours
    Half-Life from Model Lake :      251.6  hours   (10.48 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.86  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.01  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       0.254           7.7          1000       
   Water     5.02            360          1000       
   Soil      38              720          1000       
   Sediment  56.7            3.24e+003    0          
     Persistence Time: 1.11e+003 hr