CAS Number: 88642-46-0
SMILES : CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCC=C(C)CCCCCCCC
         C)O)O
CHEM   : 
MOL FOR: C41 H77 N1 O9 
MOL WT : 728.07
------------------------------ EPI SUMMARY (v4.11) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  8.16
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  917.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  349.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.04E-029  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.38E-027  (Modified Grain method)
    Subcooled liquid VP: 5.31E-026 mm Hg (25 deg C, Mod-Grain method)
                       : 7.08E-024 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.456e-006
       log Kow used: 8.16 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.21861 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Vinyl/Allyl Alcohols
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.35E-016  atm-m3/mole  (2.38E-011 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:  4.057E-024 atm-m3/mole  (4.110E-019 Pa-m3/mole)
      VP:   1.04E-029 mm Hg (source: MPBPVP)
      WS:   2.46E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.16  (KowWin est)
  Log Kaw used:  -14.017  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  22.177
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0856
   Biowin2 (Non-Linear Model)     :   0.2491
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0752  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2981  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8079
   Biowin6 (MITI Non-Linear Model):   0.1345
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1950
 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):  7.08E-024 Pa (5.31E-026 mm Hg)
  Log Koa (Koawin est  ): 22.177
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.24E+017 
       Octanol/air (Koa) model:  3.69E+009 
   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 = 301.6980 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 309.2980 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   25.526 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   24.899 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    56.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    63.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    29.469 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    26.194 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    :  6.795E+007  L/kg (MCI method)
      Log Koc:  7.832       (MCI method)
      Koc    :  2.564E+004  L/kg (Kow method)
      Log Koc:  4.409       (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 = 2.960 (BCF = 911.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7135 days (HL = 0.1934 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.541 (BCF = 3.479)
   Log BAF Arnot-Gobas method (upper trophic) = 0.562 (BAF = 3.647)
       log Kow used: 8.16 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.35E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.723E+012  hours   (2.801E+011 days)
    Half-Life from Model Lake : 7.334E+013  hours   (3.056E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  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       0.0118          0.311        1000       
   Water     3.74            360          1000       
   Soil      28.2            720          1000       
   Sediment  68.1            3.24e+003    0          
     Persistence Time: 1.24e+003 hr