CAS Number: 22144-76-9
SMILES : O=C1NC(C3C(=C(C(O)C2C=CCC(C(=O)C(O)(C=CC(OC(=O)C)C123)C)C)C)C)Cc4cccc
         c4
CHEM   : 
MOL FOR: C30 H37 N1 O6 
MOL WT : 507.63
------------------------------ EPI SUMMARY (v4.10) --------------------------
    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) =  4.01
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  691.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  301.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.76E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.68E-018  (Modified Grain method)
    Subcooled liquid VP: 3.42E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 4.56E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.2403
       log Kow used: 4.01 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5166 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
       Amides 
       a-,b-Ketone alcohol
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.82E-016  atm-m3/mole  (1.84E-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:  7.672E-020 atm-m3/mole  (7.773E-015 Pa-m3/mole)
      VP:   2.76E-020 mm Hg (source: MPBPVP)
      WS:   0.24 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.01  (KowWin est)
  Log Kaw used:  -14.128  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.138
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8707
   Biowin2 (Non-Linear Model)     :   0.8971
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8238  (months      )
   Biowin4 (Primary Survey Model) :   3.2864  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1930
   Biowin6 (MITI Non-Linear Model):   0.0024
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.4435
 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):  4.56E-015 Pa (3.42E-017 mm Hg)
  Log Koa (Koawin est  ): 18.138
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.58E+008 
       Octanol/air (Koa) model:  3.37E+005 
   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 = 287.6393 E-12 cm3/molecule-sec
      Half-Life =     0.037 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.774 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   141.137497 E-17 cm3/molecule-sec
      Half-Life =     0.008 Days (at 7E11 mol/cm3)
      Half-Life =     11.692 Min
   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    :  2352  L/kg (MCI method)
      Log Koc:  3.372       (MCI method)
      Koc    :  265.9  L/kg (Kow method)
      Log Koc:  2.425       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.805E-003  L/mol-sec
  Kb Half-Life at pH 8:       7.829  years  
  Kb Half-Life at pH 7:      78.287  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.313 (BCF = 205.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2174 days (HL = 0.06062 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.414 (BCF = 25.93)
   Log BAF Arnot-Gobas method (upper trophic) = 1.414 (BAF = 25.93)
       log Kow used: 4.01 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.82E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.248E+012  hours   (3.02E+011 days)
    Half-Life from Model Lake : 7.907E+013  hours   (3.295E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:              30.52  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    30.20  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       0.00467         0.16         1000       
   Water     13.9            1.44e+003    1000       
   Soil      83.8            2.88e+003    1000       
   Sediment  2.3             1.3e+004     0          
     Persistence Time: 1.63e+003 hr