CAS Number: 9005-65-6
SMILES : OCCOCCOCCOCCOCCOC(COC(=O)(CCCCCCCC=CCCCCCCCC))C1C(OCCOCCOCCOCCOCCO)C(
         OCCOCCOCCOCCOCCO)CO1
CHEM   : Sorbitan, mono-9-octadecenoate, poly(oxy-1,2-ethanediyl) derivs., (Z)
         -
MOL FOR: C54 H104 O21 
MOL WT : 1089.42
    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) =  0.70
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  1074.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.67E-035  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.22E-033  (Modified Grain method)
    Subcooled liquid VP: 8.55E-032 mm Hg (25 deg C, Mod-Grain method)
                       : 1.14E-029 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.01999
       log Kow used: 0.70 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  25013 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-039  atm-m3/mole  (1.07E-034 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:  7.171E-029 atm-m3/mole  (7.266E-024 Pa-m3/mole)
      VP:   1E-030 mm Hg (source: MPBPVP)
      WS:   0.02 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.70  (KowWin est)
  Log Kaw used:  -37.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  38.067
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -4.5701
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.5714  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0065  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5647
   Biowin6 (MITI Non-Linear Model):   0.0024
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.2521
 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):  1.14E-029 Pa (8.55E-032 mm Hg)
  Log Koa (Koawin est  ): 38.067
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.63E+023 
       Octanol/air (Koa) model:  2.86E+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 = 334.7953 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 342.3954 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   23.002 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   22.492 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   126.941 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    82.512 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    :  8.78E+009  L/kg (MCI method)
      Log Koc:  9.943       (MCI method)
      Koc    :  0.6161  L/kg (Kow method)
      Log Koc:  -0.210      (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -3.5978 days (HL = 0.0002525 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.006 (BCF = 0.9874)
   Log BAF Arnot-Gobas method (upper trophic) = -0.006 (BAF = 0.9874)
       log Kow used: 0.70 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.05E-039 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.84E+036  hours   (7.668E+034 days)
    Half-Life from Model Lake : 2.008E+037  hours   (8.366E+035 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       3.12e-008       0.563        1000       
   Water     0.548           4.32e+003    1000       
   Soil      52.1            8.64e+003    1000       
   Sediment  47.4            3.89e+004    0          
     Persistence Time: 1.51e+004 hr