CAS Number: 55837-25-7
SMILES : N1(CCCC(=O)c2c(OC)cc(OC)cc2OC)CCCC1
CHEM   : 
MOL FOR: C17 H25 N1 O4 
MOL WT : 307.39
------------------------------ 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) =  2.97
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  393.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  148.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.5E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.66E-005  (Modified Grain method)
    Subcooled liquid VP: 1.16E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00155 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  326.4
       log Kow used: 2.97 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  367.93 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.38E-012  atm-m3/mole  (1.40E-007 Pa-m3/mole)
   Group Method:   7.05E-010  atm-m3/mole  (7.15E-005 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  8.055E-010 atm-m3/mole  (8.161E-005 Pa-m3/mole)
      VP:   6.5E-007 mm Hg (source: MPBPVP)
      WS:   326 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.97  (KowWin est)
  Log Kaw used:  -10.249  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.219
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7985
   Biowin2 (Non-Linear Model)     :   0.9378
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0682  (months      )
   Biowin4 (Primary Survey Model) :   3.3254  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6611
   Biowin6 (MITI Non-Linear Model):   0.5366
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9283
 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):  0.00155 Pa (1.16E-005 mm Hg)
  Log Koa (Koawin est  ): 13.219
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00194 
       Octanol/air (Koa) model:  4.06 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0655 
       Mackay model           :  0.134 
       Octanol/air (Koa) model:  0.997 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 299.9991 E-12 cm3/molecule-sec
      Half-Life =     0.036 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.670 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0999 (Junge-Pankow, Mackay avg)
      0.997 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1114  L/kg (MCI method)
      Log Koc:  3.047       (MCI method)
      Koc    :  645.6  L/kg (Kow method)
      Log Koc:  2.810       (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 = 1.044 (BCF = 11.08 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2844 days (HL = 0.05195 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.247 (BCF = 17.64)
   Log BAF Arnot-Gobas method (upper trophic) = 1.247 (BAF = 17.64)
       log Kow used: 2.97 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.05E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.456E+006  hours   (6.067E+004 days)
    Half-Life from Model Lake : 1.588E+007  hours   (6.618E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.44  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.32  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       0.00323         0.856        1000       
   Water     10              1.44e+003    1000       
   Soil      89.3            2.88e+003    1000       
   Sediment  0.729           1.3e+004     0          
     Persistence Time: 2.56e+003 hr