CAS Num: 000105-95-3
SMILES : O=C(OCCOC(=O)CCCCCCCCCC1)C1
CHEM   : 1,4-Dioxacycloheptadecane-5,17-dione
MOL FOR: C15 H26 O4 
MOL WT : 270.37
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  434.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  71.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.38E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.85E-005  (Modified Grain method)
    Subcooled liquid VP: 1.19E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000159 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.719
       log Kow used: 4.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  340.27 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.13E-006  atm-m3/mole  (3.17E-001 Pa-m3/mole)
   Group Method:   1.51E-007  atm-m3/mole  (1.53E-002 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:  9.064E-008 atm-m3/mole  (9.185E-003 Pa-m3/mole)
      VP:   4.38E-007 mm Hg (source: MPBPVP)
      WS:   1.72 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.71  (KowWin est)
  Log Kaw used:  -3.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.603
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9672
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8821  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9156  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8517
   Biowin6 (MITI Non-Linear Model):   0.9363
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3804
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000159 Pa (1.19E-006 mm Hg)
  Log Koa (Koawin est  ): 8.603
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0189 
       Octanol/air (Koa) model:  9.84E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.406 
       Mackay model           :  0.602 
       Octanol/air (Koa) model:  0.00781 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.1059 E-12 cm3/molecule-sec
      Half-Life =     0.625 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.503 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.504 (Junge-Pankow, Mackay avg)
      0.00781 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  704  L/kg (MCI method)
      Log Koc:  2.848       (MCI method)
      Koc    :  2507  L/kg (Kow method)
      Log Koc:  3.399       (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 v3.00):
   Log BCF from regression-based method = 2.776 (BCF = 597.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0519 days (HL = 0.08874 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.581 (BCF = 38.09)
   Log BAF Arnot-Gobas method (upper trophic) = 1.581 (BAF = 38.09)
       log Kow used: 4.71 (estimated)

 Volatilization from Water:
    Henry LC:  1.51E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       6377  hours   (265.7 days)
    Half-Life from Model Lake : 6.971E+004  hours   (2904 days)

 Removal In Wastewater Treatment:
    Total removal:              66.44  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    65.84  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       0.762           15           1000       
   Water     21.5            360          1000       
   Soil      77.2            720          1000       
   Sediment  0.561           3.24e+003    0          
     Persistence Time: 555 hr