CAS Num: 000623-22-3
SMILES : O=C(OCCC)C=Cc(occ1)c1
CHEM   : 2-Propenoic acid, 3-(2-furanyl)-, propyl ester
MOL FOR: C10 H12 O3 
MOL WT : 180.21
------------------------------ 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) =  2.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  244.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0345  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.6  (Modified Grain method)
    Subcooled liquid VP: 0.0351 mm Hg (25 deg C, Mod-Grain method)
                       : 4.67 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  267
       log Kow used: 2.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  596.27 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.28E-006  atm-m3/mole  (7.38E-001 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:  3.064E-005 atm-m3/mole  (3.104E+000 Pa-m3/mole)
      VP:   0.0345 mm Hg (source: MPBPVP)
      WS:   267 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.71  (KowWin est)
  Log Kaw used:  -3.526  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.236
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8359
   Biowin2 (Non-Linear Model)     :   0.9893
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9412  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8167  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6560
   Biowin6 (MITI Non-Linear Model):   0.7437
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5470
 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):  4.68 Pa (0.0351 mm Hg)
  Log Koa (Koawin est  ): 6.236
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.41E-007 
       Octanol/air (Koa) model:  4.23E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.32E-005 
       Mackay model           :  5.13E-005 
       Octanol/air (Koa) model:  3.38E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.9705 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  63.6305 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.105 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    2.017 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.050000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.091 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      3.72E-005 (Junge-Pankow, Mackay avg)
      3.38E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  398.5  L/kg (MCI method)
      Log Koc:  2.600       (MCI method)
      Koc    :  228.3  L/kg (Kow method)
      Log Koc:  2.358       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.614E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.285  years  
  Kb Half-Life at pH 7:      22.845  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.454 (BCF = 28.47 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9939 days (HL = 0.1014 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.356 (BCF = 22.7)
   Log BAF Arnot-Gobas method (upper trophic) = 1.356 (BAF = 22.7)
       log Kow used: 2.71 (estimated)

 Volatilization from Water:
    Henry LC:  7.28E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      109.3  hours   (4.556 days)
    Half-Life from Model Lake :       1305  hours   (54.39 days)

 Removal In Wastewater Treatment:
    Total removal:               4.25  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.74  percent
    Total to Air:                0.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.376           3.63         1000       
   Water     25.2            360          1000       
   Soil      74              720          1000       
   Sediment  0.412           3.24e+003    0          
     Persistence Time: 453 hr