CAS Number: 2455-24-5
SMILES : O=C(OCC(OCC1)C1)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, (tetrahydro-2-furanyl)methyl ester
MOL FOR: C9 H14 O3 
MOL WT : 170.21
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  1.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  216.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.161  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  21.4  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  59-62 @ 0.6 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1792
       log Kow used: 1.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12816 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.20E-007  atm-m3/mole  (2.23E-002 Pa-m3/mole)
   Group Method:   2.28E-007  atm-m3/mole  (2.31E-002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.012E-005 atm-m3/mole  (2.039E+000 Pa-m3/mole)
      VP:   0.161 mm Hg (source: MPBPVP)
      WS:   1.79E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.80  (KowWin est)
  Log Kaw used:  -5.046  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.846
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4933
   Biowin2 (Non-Linear Model)     :   0.7759
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9546  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8214  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6848
   Biowin6 (MITI Non-Linear Model):   0.7383
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2295
 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):  19.9 Pa (0.149 mm Hg)
  Log Koa (Koawin est  ): 6.846
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.51E-007 
       Octanol/air (Koa) model:  1.72E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.45E-006 
       Mackay model           :  1.21E-005 
       Octanol/air (Koa) model:  0.000138 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  39.3852 E-12 cm3/molecule-sec
      Half-Life =     0.272 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.259 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      8.77E-006 (Junge-Pankow, Mackay avg)
      0.000138 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  25.22  L/kg (MCI method)
      Log Koc:  1.402       (MCI method)
      Koc    :  58.15  L/kg (Kow method)
      Log Koc:  1.765       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.000E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.138  years  
  Kb Half-Life at pH 7:      31.376  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.853 (BCF = 7.123 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.4367 days (HL = 0.03659 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.609 (BCF = 4.068)
   Log BAF Arnot-Gobas method (upper trophic) = 0.609 (BAF = 4.068)
       log Kow used: 1.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.2E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3473  hours   (144.7 days)
    Half-Life from Model Lake :   3.8E+004  hours   (1583 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.11  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.00  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.522           5.13         1000       
   Water     33.5            360          1000       
   Soil      65.9            720          1000       
   Sediment  0.0966          3.24e+003    0          
     Persistence Time: 422 hr