CAS Num: 000105-01-1
SMILES : O=C(OCC(C)C)CCc(occ1)c1
CHEM   : 2-Furanpropanoic acid, 2-methylpropyl ester
MOL FOR: C11 H16 O3 
MOL WT : 196.25
------------------------------ 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) =  3.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  246.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0311  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.15  (Modified Grain method)
    Subcooled liquid VP: 0.0323 mm Hg (25 deg C, Mod-Grain method)
                       : 4.31 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  64.04
       log Kow used: 3.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  142.85 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.39E-005  atm-m3/mole  (4.45E+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:  1.254E-004 atm-m3/mole  (1.271E+001 Pa-m3/mole)
      VP:   0.0311 mm Hg (source: MPBPVP)
      WS:   64 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.34  (KowWin est)
  Log Kaw used:  -2.746  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.086
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8830
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8308  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7250  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4900
   Biowin6 (MITI Non-Linear Model):   0.5843
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3268
 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):  4.31 Pa (0.0323 mm Hg)
  Log Koa (Koawin est  ): 6.086
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.97E-007 
       Octanol/air (Koa) model:  2.99E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.52E-005 
       Mackay model           :  5.57E-005 
       Octanol/air (Koa) model:  2.39E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 106.7002 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.203 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.04E-005 (Junge-Pankow, Mackay avg)
      2.39E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  610.8  L/kg (MCI method)
      Log Koc:  2.786       (MCI method)
      Koc    :  509.3  L/kg (Kow method)
      Log Koc:  2.707       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.384E-002  L/mol-sec
  Kb Half-Life at pH 8:     182.971  days   
  Kb Half-Life at pH 7:       5.009  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.872 (BCF = 74.43 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1429 days (HL = 0.07196 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.432 (BCF = 27.04)
   Log BAF Arnot-Gobas method (upper trophic) = 1.432 (BAF = 27.04)
       log Kow used: 3.34 (estimated)

 Volatilization from Water:
    Henry LC:  4.39E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      20.11  hours
    Half-Life from Model Lake :      336.9  hours   (14.04 days)

 Removal In Wastewater Treatment:
    Total removal:              11.87  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:     9.60  percent
    Total to Air:                2.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.286           2.4          1000       
   Water     23.2            360          1000       
   Soil      75.9            720          1000       
   Sediment  0.539           3.24e+003    0          
     Persistence Time: 441 hr