CAS Number: 56-36-0
SMILES : CCCC[Sn](CCCC)(CCCC)OC(=O)(C)
CHEM   : Tributyl tin acetate
MOL FOR: C14 H30 O2 Sn1 
MOL WT : 349.10
------------------------------ 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) =  3.24
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  315.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000235  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0313  (Modified Grain method)
    MP  (exp database):  84.7 deg C
    VP  (exp database):  2.70E-03 mm Hg (3.60E-001 Pa) at 20 deg C
    Subcooled liquid VP: 0.0105 mm Hg (20 deg C, exp database VP )
                       : 1.4 Pa  (20 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  10.78
       log Kow used: 3.24 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  65 mg/L ( deg C)
        Exper. Ref:  BLUNDEN,SJ ET AL. (1984)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.7769 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 :   5.81E-002  atm-m3/mole  (5.88E+003 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.91E-05  atm-m3/mole  (1.94E+000 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:  1.001E-005 atm-m3/mole  (1.015E+000 Pa-m3/mole)
      VP:   0.000235 mm Hg (source: MPBPVP)
      WS:   10.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.24  (KowWin est)
  Log Kaw used:  -3.107  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.347
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9066
   Biowin2 (Non-Linear Model)     :   0.9729
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3227  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1513  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2523
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2015
 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):  1.4 Pa (0.0105 mm Hg)
  Log Koa (Koawin est  ): 6.347
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-006 
       Octanol/air (Koa) model:  5.46E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-005 
       Mackay model           :  0.000171 
       Octanol/air (Koa) model:  4.37E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.6942 E-12 cm3/molecule-sec
      Half-Life =     0.251 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.006 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000124 (Junge-Pankow, Mackay avg)
      4.37E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1648  L/kg (MCI method)
      Log Koc:  3.217       (MCI method)
      Koc    :  307.6  L/kg (Kow method)
      Log Koc:  2.488       (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 = 3.203 (BCF = 1596 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1368 days (HL = 0.7299 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.057 (BCF = 114.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.057 (BAF = 114.2)
       log Kow used: 3.24 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.91E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      59.18  hours   (2.466 days)
    Half-Life from Model Lake :      802.3  hours   (33.43 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.26  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     8.14  percent
    Total to Air:                0.98  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.989           6.01         1000       
   Water     26.6            208          1000       
   Soil      71.4            416          1000       
   Sediment  0.978           1.87e+003    0          
     Persistence Time: 279 hr