CAS Num: 009005-64-5
SMILES : OCCOCCOCCOCCOCCOC1C(OCCOCCOCCOCCOCCO)COC1C(OCCOCCOCCOCCOCCO)COC(=O)(C
         CCCCCCCCCC)
CHEM   : Sorbitan, monododecanoate, poly(oxy-1,2-ethanediyl) derivs.
MOL FOR: C48 H94 O21 
MOL WT : 1007.27
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -2.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  1001.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.65E-033  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.15E-030  (Modified Grain method)
    Subcooled liquid VP: 4.43E-029 mm Hg (25 deg C, Mod-Grain method)
                       : 5.91E-027 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  15.76
       log Kow used: -2.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.19E-040  atm-m3/mole  (2.22E-035 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:  8.410E-032 atm-m3/mole  (8.521E-027 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   15.8 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.03  (KowWin est)
  Log Kaw used:  -38.048  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  36.018
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -4.5310
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7530  (months      )
   Biowin4 (Primary Survey Model) :   3.1250  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5990
   Biowin6 (MITI Non-Linear Model):   0.0044
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.2090
 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):  5.91E-027 Pa (4.43E-029 mm Hg)
  Log Koa (Koawin est  ): 36.018
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.08E+020 
       Octanol/air (Koa) model:  2.56E+023 
   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 = 273.2717 E-12 cm3/molecule-sec
      Half-Life =     0.039 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.181 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   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    :  2.397E+008  L/kg (MCI method)
      Log Koc:  8.380       (MCI method)
      Koc    :  0.01904  L/kg (Kow method)
      Log Koc:  -1.720      (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.204E-002  L/mol-sec
  Kb Half-Life at pH 8:     129.295  days   
  Kb Half-Life at pH 7:       3.540  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -4.5211 days (HL = 3.012e-005 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
       log Kow used: -2.03 (estimated)

 Volatilization from Water:
    Henry LC:  2.19E-040 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 8.485E+036  hours   (3.535E+035 days)
    Half-Life from Model Lake : 9.256E+037  hours   (3.857E+036 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       3.01e-011       0.939        1000       
   Water     1.07            1.44e+003    1000       
   Soil      41.6            2.88e+003    1000       
   Sediment  57.3            1.3e+004     0          
     Persistence Time: 6.32e+003 hr