CAS Number: 54849-38-6
SMILES : O=C(CS[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)C)OCCCCCC(C)C
CHEM   : Acetic acid, 2,2 ,2  -[(methylstannylidyne)tris(thio)]tris-,triisooct
         yl ester
MOL FOR: C31 H60 O6 S3 Sn1 
MOL WT : 743.71
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  10.98
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  629.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  258.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.54E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.72E-012  (Modified Grain method)
    Subcooled liquid VP: 1.27E-011 mm Hg (25 deg C, Mod-Grain method)
                       : 1.69E-009 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.534e-009
       log Kow used: 10.98 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1201e-006 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 :   Incomplete
   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:  4.598E-006 atm-m3/mole  (4.659E-001 Pa-m3/mole)
      VP:   3.54E-014 mm Hg (source: MPBPVP)
      WS:   7.53E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9160
   Biowin2 (Non-Linear Model)     :   0.9909
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9763  (months      )
   Biowin4 (Primary Survey Model) :   3.4616  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4035
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7649
 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):  1.69E-009 Pa (1.27E-011 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.77E+003 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.7684 E-12 cm3/molecule-sec
      Half-Life =     0.276 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.311 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      not available (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.366E+008  L/kg (MCI method)
      Log Koc:  8.135       (MCI method)
      Koc    :  7.367E+006  L/kg (Kow method)
      Log Koc:  6.867       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.040E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.985  days   
  Kb Half-Life at pH 7:      19.855  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.978 (BCF = 950 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7740 days (HL = 0.1683 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8965)
   Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8967)
       log Kow used: 10.98 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.6E-006 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:        350  hours   (14.58 days)
    Half-Life from Model Lake :       4047  hours   (168.6 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       0.0998          6.62         1000       
   Water     8.98            1.44e+003    1000       
   Soil      71.2            2.88e+003    1000       
   Sediment  19.7            1.3e+004     0          
     Persistence Time: 2.31e+003 hr