CAS Num: 026266-57-9
SMILES : O=C(OCC(C(C(C(O)CO)O)O)O)CCCCCCCCCCCCCCC
CHEM   : Sorbitan, monohexadecanoate
MOL FOR: C22 H44 O7 
MOL WT : 420.59
------------------------------ 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) =  4.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  558.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  239.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.08E-015  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.44E-013  (Modified Grain method)
    Subcooled liquid VP: 2.26E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 3.02E-011 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5088
       log Kow used: 4.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2675.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.50E-012  atm-m3/mole  (2.53E-007 Pa-m3/mole)
   Group Method:   1.20E-025  atm-m3/mole  (1.21E-020 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:  1.175E-015 atm-m3/mole  (1.190E-010 Pa-m3/mole)
      VP:   1.08E-015 mm Hg (source: MPBPVP)
      WS:   0.509 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.28  (KowWin est)
  Log Kaw used:  -9.991  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.271
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.6236
   Biowin2 (Non-Linear Model)     :   0.9998
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5081  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3862  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1987
   Biowin6 (MITI Non-Linear Model):   0.9872
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0269
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.01E-011 Pa (2.26E-013 mm Hg)
  Log Koa (Koawin est  ): 14.271
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.96E+004 
       Octanol/air (Koa) model:  45.8 
   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 =  66.2782 E-12 cm3/molecule-sec
      Half-Life =     0.161 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.937 Hrs
   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    :  8527  L/kg (MCI method)
      Log Koc:  3.931       (MCI method)
      Koc    :  253.5  L/kg (Kow method)
      Log Koc:  2.404       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.553E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.414  years  
  Kb Half-Life at pH 7:      14.145  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.114 (BCF = 12.99 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4686 days (HL = 0.0034 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.100 (BCF = 12.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.100 (BAF = 12.58)
       log Kow used: 4.28 (estimated)

 Volatilization from Water:
    Henry LC:  2.5E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.803E+008  hours   (2.001E+007 days)
    Half-Life from Model Lake :  5.24E+009  hours   (2.183E+008 days)

 Removal In Wastewater Treatment:
    Total removal:              44.19  percent
    Total biodegradation:        0.43  percent
    Total sludge adsorption:    43.76  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       0.482           3.87         1000       
   Water     24.4            208          1000       
   Soil      71.2            416          1000       
   Sediment  3.93            1.87e+003    0          
     Persistence Time: 316 hr