CAS Number: 127-30-0
SMILES : CC=C(C)C(=O)OC1CCN2(C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O)=O
CHEM   : 
MOL FOR: C21 H33 N1 O8 
MOL WT : 427.50
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  1.66
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  599.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  259.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.99E-017  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.33E-014  (Modified Grain method)
    Subcooled liquid VP: 3.63E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 4.84E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  78.5
       log Kow used: 1.66 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7126.9 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aliphatic Amines
       Esters
       Methacrylates
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.93E-021  atm-m3/mole  (4.99E-016 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:  7.158E-019 atm-m3/mole  (7.253E-014 Pa-m3/mole)
      VP:   9.99E-017 mm Hg (source: MPBPVP)
      WS:   78.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.66  (KowWin est)
  Log Kaw used:  -18.696  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  20.356
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1772
   Biowin2 (Non-Linear Model)     :   0.1445
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1020  (months      )
   Biowin4 (Primary Survey Model) :   3.3723  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3529
   Biowin6 (MITI Non-Linear Model):   0.0464
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2291
 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):  4.84E-012 Pa (3.63E-014 mm Hg)
  Log Koa (Koawin est  ): 20.356
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.2E+005 
       Octanol/air (Koa) model:  5.57E+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 = 191.7576 E-12 cm3/molecule-sec
      Half-Life =     0.056 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.669 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    50.393749 E-17 cm3/molecule-sec
      Half-Life =     0.023 Days (at 7E11 mol/cm3)
      Half-Life =     32.747 Min
   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    :  11.5  L/kg (MCI method)
      Log Koc:  1.061       (MCI method)
      Koc    :  5.411  L/kg (Kow method)
      Log Koc:  0.733       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.100E-004  L/mol-sec
  Kb Half-Life at pH 8:     104.570  years  
  Kb Half-Life at pH 7:    1045.698  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.764 (BCF = 5.807 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8006 days (HL = 0.01583 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.377 (BCF = 2.381)
   Log BAF Arnot-Gobas method (upper trophic) = 0.377 (BAF = 2.381)
       log Kow used: 1.66 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.93E-021 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.455E+017  hours   (1.023E+016 days)
    Half-Life from Model Lake : 2.679E+018  hours   (1.116E+017 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.03  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.94  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       2e-006          0.388        1000       
   Water     35.7            1.44e+003    1000       
   Soil      64.2            2.88e+003    1000       
   Sediment  0.0892          1.3e+004     0          
     Persistence Time: 1.46e+003 hr