CAS Number: 53760-19-3
SMILES : O=C1NC(C3C12C(C=CCC(C)CC(O)(C=CC2OC(=O)C)C)C(O)C(=C)C3C)Cc4ccccc4
CHEM   : 
MOL FOR: C30 H39 N1 O5 
MOL WT : 493.65
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  5.43
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  652.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  283.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.98E-019  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.2E-016  (Modified Grain method)
    Subcooled liquid VP: 6.6E-016 mm Hg (25 deg C, Mod-Grain method)
                       : 8.79E-014 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.018
       log Kow used: 5.43 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.5684 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Alcohols
       Amides 
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.01E-017  atm-m3/mole  (8.12E-012 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:  3.240E-017 atm-m3/mole  (3.283E-012 Pa-m3/mole)
      VP:   8.98E-019 mm Hg (source: MPBPVP)
      WS:   0.018 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.43  (KowWin est)
  Log Kaw used:  -14.485  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.915
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8705
   Biowin2 (Non-Linear Model)     :   0.9436
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8772  (months      )
   Biowin4 (Primary Survey Model) :   3.3288  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1610
   Biowin6 (MITI Non-Linear Model):   0.0018
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1997
 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):  8.8E-014 Pa (6.6E-016 mm Hg)
  Log Koa (Koawin est  ): 19.915
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.41E+007 
       Octanol/air (Koa) model:  2.02E+007 
   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 = 227.6487 E-12 cm3/molecule-sec
      Half-Life =     0.047 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.564 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    22.337502 E-17 cm3/molecule-sec
      Half-Life =     0.051 Days (at 7E11 mol/cm3)
      Half-Life =      1.231 Hrs
   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    :  1.873E+004  L/kg (MCI method)
      Log Koc:  4.272       (MCI method)
      Koc    :  1034  L/kg (Kow method)
      Log Koc:  3.015       (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 = 3.252 (BCF = 1787 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5027 days (HL = 0.3143 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.103 (BCF = 126.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.104 (BAF = 127)
       log Kow used: 5.43 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.01E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.624E+013  hours   (6.767E+011 days)
    Half-Life from Model Lake : 1.772E+014  hours   (7.382E+012 days)
 
 Removal In Wastewater Treatment:
    Total removal:              87.33  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    86.59  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       0.014           0.589        1000       
   Water     10.9            1.44e+003    1000       
   Soil      73.6            2.88e+003    1000       
   Sediment  15.4            1.3e+004     0          
     Persistence Time: 1.93e+003 hr