CAS Number: 9005-70-3
SMILES : CCCCCCCCC=CCCCCCCCC(=O)(OC1C(OC(=O)(CCCCCCCC=CCCCCCCCC))C(C(OCCOCCOCC
         OCCOCCO)COC(=O)(CCCCCCCC=CCCCCCCCC))OC1)
CHEM   : Sorbitan, tri-9-octadecenoate, poly(oxy-1,2-ethanediyl) derivs., (Z,Z
         ,Z)-
MOL FOR: C70 H128 O13 
MOL WT : 1177.79
    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) =  20.34
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1095.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.06E-034  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.21E-031  (Modified Grain method)
    Subcooled liquid VP: 4.64E-030 mm Hg (25 deg C, Mod-Grain method)
                       : 6.19E-028 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.718e-019
       log Kow used: 20.34 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1778e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.65E-020  atm-m3/mole  (3.69E-015 Pa-m3/mole)
   Group Method:   1.20E-026  atm-m3/mole  (1.21E-021 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:  5.702E+003 atm-m3/mole  (5.777E+008 Pa-m3/mole)
      VP:   1E-015 mm Hg (source: MPBPVP)
      WS:   2.72E-019 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  20.34  (KowWin est)
  Log Kaw used:  -17.826  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  38.166
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.8908
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0200  (months      )
   Biowin4 (Primary Survey Model) :   3.7136  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0732
   Biowin6 (MITI Non-Linear Model):   0.2621
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4822
 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):  6.19E-028 Pa (4.64E-030 mm Hg)
  Log Koa (Koawin est  ): 38.166
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.85E+021 
       Octanol/air (Koa) model:  3.6E+025 
   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 = 332.4283 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 355.2283 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   23.166 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   21.679 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    39.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    60.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    42.314 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    27.504 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   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    :  1E+010  L/kg (MCI method)
      Log Koc:  12.811      (MCI method)
      Koc    :  1.229E+011  L/kg (Kow method)
      Log Koc:  11.090      (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.049E-001  L/mol-sec
  Kb Half-Life at pH 8:      76.500  days   
  Kb Half-Life at pH 7:       2.094  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9592 days (HL = 91.04 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)
       log Kow used: 20.34 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.65E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.505E+016  hours   (2.294E+015 days)
    Half-Life from Model Lake : 6.005E+017  hours   (2.502E+016 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       0.0107          0.369        1000       
   Water     13.8            1.44e+003    1000       
   Soil      86.2            2.88e+003    1000       
   Sediment  1.01e-006       1.3e+004     0          
     Persistence Time: 1.63e+003 hr