CAS Number: 77-58-7
SMILES : CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
CHEM   : Dibutyltin dilaurate
MOL FOR: C32 H64 O4 Sn1 
MOL WT : 631.57
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  10.64
    Log Kow (Exper. database match) =  3.12
       Exper. Ref:  TSUDA,T ET AL. (1986)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  531.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  212.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.46E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.94E-007  (Modified Grain method)
    MP  (exp database):  23 deg C
    BP  (exp database):  205 @ 10 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.2158
       log Kow used: 3.12 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3 mg/L (25 deg C)
        Exper. Ref:  BLUNDEN,SJ ET AL. (1984)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.3157e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.61E-001  atm-m3/mole  (1.63E+004 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:  1.717E-008 atm-m3/mole  (1.740E-003 Pa-m3/mole)
      VP:   4.46E-009 mm Hg (source: MPBPVP)
      WS:   0.216 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.12  (exp database)
  Log Kaw used:  0.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.302
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8806
   Biowin2 (Non-Linear Model)     :   0.8046
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9968  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0128  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2520
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0774
 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):  5.95E-007 Pa (4.46E-009 mm Hg)
  Log Koa (Koawin est  ): 2.302
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.04 
       Octanol/air (Koa) model:  4.92E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.995 
       Mackay model           :  0.998 
       Octanol/air (Koa) model:  3.94E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.3879 E-12 cm3/molecule-sec
      Half-Life =     0.197 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.360 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.996 (Junge-Pankow, Mackay avg)
      3.94E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.161E+006  L/kg (MCI method)
      Log Koc:  6.790       (MCI method)
      Koc    :  155.7  L/kg (Kow method)
      Log Koc:  2.192       (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 = 3.126 (BCF = 1335 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4519 days (HL = 0.3532 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.852 (BCF = 71.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.852 (BAF = 71.11)
       log Kow used: 3.12 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.161 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.574  hours
    Half-Life from Model Lake :      238.8  hours   (9.95 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.45  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.26  percent
    Total to Air:               95.16  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.155           4.72         1000       
   Water     3.68            360          1000       
   Soil      30.7            720          1000       
   Sediment  65.4            3.24e+003    0          
     Persistence Time: 1.25e+003 hr