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CAS Num: 000615-10-1
SMILES : o1cccc1C(=O)OCCC
CHEM   : 2-Furancarboxylic acid, propyl ester
MOL FOR: C8 H10 O3 
MOL WT : 154.17
------------------------------ 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) =  1.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  201.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.34  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  45.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1627
       log Kow used: 1.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3645.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.10E-005  atm-m3/mole  (6.19E+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:  4.239E-005 atm-m3/mole  (4.295E+000 Pa-m3/mole)
      VP:   0.34 mm Hg (source: MPBPVP)
      WS:   1.63E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.93  (KowWin est)
  Log Kaw used:  -2.603  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.533
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8483
   Biowin2 (Non-Linear Model)     :   0.9926
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9987  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8543  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7211
   Biowin6 (MITI Non-Linear Model):   0.8532
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6941
 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):  41.5 Pa (0.311 mm Hg)
  Log Koa (Koawin est  ): 4.533
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.23E-008 
       Octanol/air (Koa) model:  8.38E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.61E-006 
       Mackay model           :  5.79E-006 
       Octanol/air (Koa) model:  6.7E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.2465 E-12 cm3/molecule-sec
      Half-Life =     0.658 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.900 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.2E-006 (Junge-Pankow, Mackay avg)
      6.7E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  122.4  L/kg (MCI method)
      Log Koc:  2.088       (MCI method)
      Koc    :  84.54  L/kg (Kow method)
      Log Koc:  1.927       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  8.397E-002  L/mol-sec
  Kb Half-Life at pH 8:      95.539  days   
  Kb Half-Life at pH 7:       2.616  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.942 (BCF = 8.75 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3635 days (HL = 0.0433 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.725 (BCF = 5.313)
   Log BAF Arnot-Gobas method (upper trophic) = 0.725 (BAF = 5.313)
       log Kow used: 1.93 (estimated)

 Volatilization from Water:
    Henry LC:  6.1E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      13.18  hours
    Half-Life from Model Lake :      247.9  hours   (10.33 days)

 Removal In Wastewater Treatment:
    Total removal:               5.26  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.04  percent
    Total to Air:                3.13  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.86            15.8         1000       
   Water     25.7            360          1000       
   Soil      72.3            720          1000       
   Sediment  0.172           3.24e+003    0          
     Persistence Time: 408 hr