CAS Number: 39481-28-2
SMILES : CCCCCCC(=O)OCc1ccco1
CHEM   : furan-2-ylmethyl heptanoate
MOL FOR: C12 H18 O3 
MOL WT : 210.28
------------------------------ 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) =  3.91
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  273.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00489  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.651  (Modified Grain method)
    Subcooled liquid VP: 0.00792 mm Hg (25 deg C, Mod-Grain method)
                       : 1.06 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.87
       log Kow used: 3.91 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26.521 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.82E-005  atm-m3/mole  (5.90E+000 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:  7.571E-005 atm-m3/mole  (7.672E+000 Pa-m3/mole)
      VP:   0.00489 mm Hg (source: MPBPVP)
      WS:   17.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.91  (KowWin est)
  Log Kaw used:  -2.624  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.534
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9300
   Biowin2 (Non-Linear Model)     :   0.9974
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1730  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0424  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6468
   Biowin6 (MITI Non-Linear Model):   0.7865
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4470
 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):  1.06 Pa (0.00792 mm Hg)
  Log Koa (Koawin est  ): 6.534
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.84E-006 
       Octanol/air (Koa) model:  8.39E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000103 
       Mackay model           :  0.000227 
       Octanol/air (Koa) model:  6.72E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 108.0422 E-12 cm3/molecule-sec
      Half-Life =     0.099 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.188 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000165 (Junge-Pankow, Mackay avg)
      6.72E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1324  L/kg (MCI method)
      Log Koc:  3.122       (MCI method)
      Koc    :  1053  L/kg (Kow method)
      Log Koc:  3.022       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.184E+000  L/mol-sec
  Kb Half-Life at pH 8:       6.775  days   
  Kb Half-Life at pH 7:      67.746  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.244 (BCF = 175.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1306 days (HL = 0.07403 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.492 (BCF = 31.01)
   Log BAF Arnot-Gobas method (upper trophic) = 1.492 (BAF = 31.01)
       log Kow used: 3.91 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.82E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      16.07  hours
    Half-Life from Model Lake :      296.9  hours   (12.37 days)
 
 Removal In Wastewater Treatment:
    Total removal:              28.03  percent
    Total biodegradation:        0.28  percent
    Total sludge adsorption:    25.53  percent
    Total to Air:                2.22  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.286           2.38         1000       
   Water     22.2            360          1000       
   Soil      76.6            720          1000       
   Sediment  1               3.24e+003    0          
     Persistence Time: 445 hr