CAS Num: 005579-78-2
SMILES : O=C(OC(CCC1)CCCC)C1
CHEM   : 2-Oxepanone, 7-butyl-
MOL FOR: C10 H18 O2 
MOL WT : 170.25
------------------------------ 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) =  2.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  284.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0044  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.587  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  393.8
       log Kow used: 2.57 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  187.01 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.62E-004  atm-m3/mole  (5.69E+001 Pa-m3/mole)
   Group Method:   2.39E-004  atm-m3/mole  (2.42E+001 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:  2.503E-006 atm-m3/mole  (2.536E-001 Pa-m3/mole)
      VP:   0.0044 mm Hg (source: MPBPVP)
      WS:   394 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.57  (KowWin est)
  Log Kaw used:  -1.639  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.209
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9491
   Biowin2 (Non-Linear Model)     :   0.9985
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2615  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1001  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7894
   Biowin6 (MITI Non-Linear Model):   0.8986
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2480
 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):  0.587 Pa (0.0044 mm Hg)
  Log Koa (Koawin est  ): 4.209
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.11E-006 
       Octanol/air (Koa) model:  3.97E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000185 
       Mackay model           :  0.000409 
       Octanol/air (Koa) model:  3.18E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.4335 E-12 cm3/molecule-sec
      Half-Life =     0.796 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.555 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000297 (Junge-Pankow, Mackay avg)
      3.18E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  218.7  L/kg (MCI method)
      Log Koc:  2.340       (MCI method)
      Koc    :  191  L/kg (Kow method)
      Log Koc:  2.281       (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 = 1.361 (BCF = 22.95 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1958 days (HL = 0.06371 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.170 (BCF = 14.79)
   Log BAF Arnot-Gobas method (upper trophic) = 1.170 (BAF = 14.79)
       log Kow used: 2.57 (estimated)

 Volatilization from Water:
    Henry LC:  0.000239 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.528  hours
    Half-Life from Model Lake :      158.8  hours   (6.617 days)

 Removal In Wastewater Treatment:
    Total removal:              13.12  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.99  percent
    Total to Air:               10.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.83            19.1         1000       
   Water     24.9            208          1000       
   Soil      71.1            416          1000       
   Sediment  0.205           1.87e+003    0          
     Persistence Time: 248 hr