CAS Number: 83469-85-6
SMILES : CCCCCCCCCCc1ccco1
CHEM   : 2-decylfuran
MOL FOR: C14 H24 O1 
MOL WT : 208.35
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  6.33
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  269.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  36.83  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00771  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.03  (Modified Grain method)
    Subcooled liquid VP: 0.00985 mm Hg (25 deg C, Mod-Grain method)
                       : 1.31 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1557
       log Kow used: 6.33 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.17092 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.60E-002  atm-m3/mole  (7.70E+003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.358E-002 atm-m3/mole  (1.376E+003 Pa-m3/mole)
      VP:   0.00771 mm Hg (source: MPBPVP)
      WS:   0.156 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.33  (KowWin est)
  Log Kaw used:  0.492  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.838
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8115
   Biowin2 (Non-Linear Model)     :   0.9221
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9622  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7477  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4570
   Biowin6 (MITI Non-Linear Model):   0.5504
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2386
 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):  1.31 Pa (0.00985 mm Hg)
  Log Koa (Koawin est  ): 5.838
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.28E-006 
       Octanol/air (Koa) model:  1.69E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.25E-005 
       Mackay model           :  0.000183 
       Octanol/air (Koa) model:  1.35E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 112.9926 E-12 cm3/molecule-sec
      Half-Life =     0.095 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.136 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000133 (Junge-Pankow, Mackay avg)
      1.35E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.979E+004  L/kg (MCI method)
      Log Koc:  4.474       (MCI method)
      Koc    :  3.115E+005  L/kg (Kow method)
      Log Koc:  5.493       (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 = 2.469 (BCF = 294.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6304 days (HL = 4.27 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.072 (BCF = 1180)
   Log BAF Arnot-Gobas method (upper trophic) = 3.510 (BAF = 3233)
       log Kow used: 6.33 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.076 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.484  hours
    Half-Life from Model Lake :      137.2  hours   (5.718 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.84  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    79.35  percent
    Total to Air:               15.95  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.516           2.27         1000       
   Water     17.9            360          1000       
   Soil      67.7            720          1000       
   Sediment  13.8            3.24e+003    0          
     Persistence Time: 353 hr