CAS Number: 14110-64-6
SMILES : C1C(C)CCCC(=O)C=CC(=O)OC23C(=O)NC(Cc4ccccc4)C2C(C)C(=C)C(O)C3C=C1
CHEM   : 
MOL FOR: C29 H35 N1 O5 
MOL WT : 477.61
------------------------------ 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) =  3.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  698.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  305.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.88E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.05E-017  (Modified Grain method)
    Subcooled liquid VP: 1.08E-016 mm Hg (25 deg C, Mod-Grain method)
                       : 1.43E-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):  0.7633
       log Kow used: 3.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.5218 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Vinyl/Allyl Ketones
       Vinyl/Allyl Alcohols
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.27E-018  atm-m3/mole  (1.29E-013 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:  6.488E-020 atm-m3/mole  (6.574E-015 Pa-m3/mole)
      VP:   7.88E-020 mm Hg (source: MPBPVP)
      WS:   0.763 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.65  (KowWin est)
  Log Kaw used:  -16.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.935
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0689
   Biowin2 (Non-Linear Model)     :   0.9868
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1023  (months      )
   Biowin4 (Primary Survey Model) :   3.4832  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2850
   Biowin6 (MITI Non-Linear Model):   0.0079
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3777
 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):  1.44E-014 Pa (1.08E-016 mm Hg)
  Log Koa (Koawin est  ): 19.935
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.08E+008 
       Octanol/air (Koa) model:  2.11E+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 = 170.9857 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.751 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    21.375000 E-17 cm3/molecule-sec
      Half-Life =     0.054 Days (at 7E11 mol/cm3)
      Half-Life =      1.287 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    :  2.185E+004  L/kg (MCI method)
      Log Koc:  4.339       (MCI method)
      Koc    :  433.5  L/kg (Kow method)
      Log Koc:  2.637       (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 = 2.074 (BCF = 118.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2023 days (HL = 0.06276 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.411 (BCF = 25.75)
   Log BAF Arnot-Gobas method (upper trophic) = 1.411 (BAF = 25.75)
       log Kow used: 3.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.27E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.008E+015  hours   (4.198E+013 days)
    Half-Life from Model Lake : 1.099E+016  hours   (4.58E+014 days)
 
 Removal In Wastewater Treatment:
    Total removal:              16.92  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.70  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           0.693        1000       
   Water     10.1            1.44e+003    1000       
   Soil      73              2.88e+003    1000       
   Sediment  16.8            1.3e+004     0          
     Persistence Time: 2.09e+003 hr