CAS Number: 10039-33-5
SMILES : [Sn](CCCCCCCC)(CCCCCCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)OC(=O)C=CC(=O)OCC(
         CC)CCCC
CHEM   : 5,7,12-Trioxa-6-stannaoctadeca-2,9-dienoic acid, 14-ethyl-6,6-dioctyl
         -4,8,11-trioxo-, 2-ethylhexyl ester
MOL FOR: C40 H72 O8 Sn1 
MOL WT : 799.73
    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) =  13.15
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  669.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  291.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.19E-015  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.58E-013  (Modified Grain method)
    Subcooled liquid VP: 1.1E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 1.46E-010 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.422e-011
       log Kow used: 13.15 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.9973e-007 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 :   1.77E-007  atm-m3/mole  (1.80E-002 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:  2.832E-005 atm-m3/mole  (2.869E+000 Pa-m3/mole)
      VP:   1.19E-015 mm Hg (source: MPBPVP)
      WS:   4.42E-011 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.15  (KowWin est)
  Log Kaw used:  -5.140  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.290
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1489
   Biowin2 (Non-Linear Model)     :   0.9992
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9057  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2281  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2646
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5706
 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):  1.47E-010 Pa (1.1E-012 mm Hg)
  Log Koa (Koawin est  ): 18.290
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.05E+004 
       Octanol/air (Koa) model:  4.79E+005 
   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 =  75.3700 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  77.2320 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.703 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.662 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     6.549 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     3.274 Days (at 7E11 mol/cm3) [Trans-isomer]
   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    :  1.386E+007  L/kg (MCI method)
      Log Koc:  7.142       (MCI method)
      Koc    :  4.065E+007  L/kg (Kow method)
      Log Koc:  7.609       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.220E-001  L/mol-sec
  Kb Half-Life at pH 8:      19.009  days   
  Kb Half-Life at pH 7:     190.087  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.510 (BCF = 323.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1336 days (HL = 13.6 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8949)
   Log BAF Arnot-Gobas method (upper trophic) = 0.133 (BAF = 1.358)
       log Kow used: 13.15 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.77E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       9357  hours   (389.9 days)
    Half-Life from Model Lake : 1.023E+005  hours   (4263 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.269           3.33         1000       
   Water     23              360          1000       
   Soil      76.7            720          1000       
   Sediment  0.0134          3.24e+003    0          
     Persistence Time: 501 hr