CAS Num: 001725-01-5
SMILES : O=C(OCCCCCCOCCCCCCC1)C1
CHEM   : 1,8-Dioxacycloheptadecan-9-one
MOL FOR: C15 H28 O3 
MOL WT : 256.39
------------------------------ 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) =  4.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  380.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  46.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.58E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0021  (Modified Grain method)
    Subcooled liquid VP: 2.49E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00333 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.433
       log Kow used: 4.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  752.95 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.04E-005  atm-m3/mole  (2.07E+000 Pa-m3/mole)
   Group Method:   8.68E-007  atm-m3/mole  (8.79E-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:  3.720E-006 atm-m3/mole  (3.769E-001 Pa-m3/mole)
      VP:   1.58E-005 mm Hg (source: MPBPVP)
      WS:   1.43 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.90  (KowWin est)
  Log Kaw used:  -3.079  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.979
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4523
   Biowin2 (Non-Linear Model)     :   0.5045
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7641  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6971  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5708
   Biowin6 (MITI Non-Linear Model):   0.6845
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9295
 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):  0.00332 Pa (2.49E-005 mm Hg)
  Log Koa (Koawin est  ): 7.979
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000904 
       Octanol/air (Koa) model:  2.34E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0316 
       Mackay model           :  0.0674 
       Octanol/air (Koa) model:  0.00187 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.5560 E-12 cm3/molecule-sec
      Half-Life =     0.301 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.610 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0495 (Junge-Pankow, Mackay avg)
      0.00187 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1168  L/kg (MCI method)
      Log Koc:  3.068       (MCI method)
      Koc    :  3015  L/kg (Kow method)
      Log Koc:  3.479       (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 = 2.898 (BCF = 791.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1256 days (HL = 0.7488 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.479 (BCF = 301.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.480 (BAF = 302)
       log Kow used: 4.90 (estimated)

 Volatilization from Water:
    Henry LC:  8.68E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1082  hours   (45.07 days)
    Half-Life from Model Lake : 1.193E+004  hours   (497.3 days)

 Removal In Wastewater Treatment:
    Total removal:              74.29  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.62  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.636           7.22         1000       
   Water     24.2            360          1000       
   Soil      74.2            720          1000       
   Sediment  0.975           3.24e+003    0          
     Persistence Time: 477 hr