CAS Number: 210896-25-6
SMILES : CC(C)CC(C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
CHEM   : 
MOL FOR: C14 H17 F13 O1 
MOL WT : 448.27
------------------------------ 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) =  7.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  199.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.16  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.528  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  70.4  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0007095
       log Kow used: 7.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.5122e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.98E+002  atm-m3/mole  (2.00E+007 Pa-m3/mole)
   Group Method:   2.45E+003  atm-m3/mole  (2.48E+008 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:  4.389E+002 atm-m3/mole  (4.448E+007 Pa-m3/mole)
      VP:   0.528 mm Hg (source: MPBPVP)
      WS:   0.000709 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.42  (KowWin est)
  Log Kaw used:  3.908  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.512
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -1.2533
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.6263  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.1497  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0079
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5848
 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):  64.7 Pa (0.485 mm Hg)
  Log Koa (Koawin est  ): 3.512
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.64E-008 
       Octanol/air (Koa) model:  7.98E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.68E-006 
       Mackay model           :  3.71E-006 
       Octanol/air (Koa) model:  6.38E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.9236 E-12 cm3/molecule-sec
      Half-Life =     0.413 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.951 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.69E-006 (Junge-Pankow, Mackay avg)
      6.38E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.036E+006  L/kg (MCI method)
      Log Koc:  6.015       (MCI method)
      Koc    :  8.684E+004  L/kg (Kow method)
      Log Koc:  4.939       (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 = 3.920 (BCF = 8322 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.9008 days (HL = 79.57 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.477 (BCF = 2999)
   Log BAF Arnot-Gobas method (upper trophic) = 6.372 (BAF = 2.353e+006)
       log Kow used: 7.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.45E+003 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.16  hours
    Half-Life from Model Lake :      201.1  hours   (8.379 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    59.86  percent
    Total to Air:               39.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.24            9.9          1000       
   Water     2.79            4.32e+003    1000       
   Soil      0.0392          8.64e+003    1000       
   Sediment  96.9            3.89e+004    0          
     Persistence Time: 3.83e+003 hr