CAS Number: 42594-17-2
SMILES : O=C(OCC(C(C(CC1C2)C2)C1C3)(C3)COC(=O)C=C)C=C
CHEM   : 2-Propenoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methy
         lene) ester
MOL FOR: C18 H24 O4 
MOL WT : 304.39
------------------------------ EPI SUMMARY (v4.10) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  339.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  48.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000147  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0196  (Modified Grain method)
    Subcooled liquid VP: 0.00024 mm Hg (25 deg C, Mod-Grain method)
                       : 0.032 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.681
       log Kow used: 4.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.59914 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.25E-007  atm-m3/mole  (2.28E-002 Pa-m3/mole)
   Group Method:   1.12E-009  atm-m3/mole  (1.13E-004 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:  2.196E-005 atm-m3/mole  (2.225E+000 Pa-m3/mole)
      VP:   0.000147 mm Hg (source: MPBPVP)
      WS:   2.68 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.26  (KowWin est)
  Log Kaw used:  -5.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.296
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7671
   Biowin2 (Non-Linear Model)     :   0.9941
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5948  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7131  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8460
   Biowin6 (MITI Non-Linear Model):   0.6736
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0141
 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):  0.032 Pa (0.00024 mm Hg)
  Log Koa (Koawin est  ): 9.296
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.38E-005 
       Octanol/air (Koa) model:  0.000485 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00337 
       Mackay model           :  0.00744 
       Octanol/air (Koa) model:  0.0374 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.1972 E-12 cm3/molecule-sec
      Half-Life =     0.332 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.986 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00541 (Junge-Pankow, Mackay avg)
      0.0374 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3371  L/kg (MCI method)
      Log Koc:  3.528       (MCI method)
      Koc    :  1413  L/kg (Kow method)
      Log Koc:  3.150       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.614E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.361  years  
  Kb Half-Life at pH 7:      13.607  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.476 (BCF = 298.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0081 days (HL = 0.09816 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.619 (BCF = 41.58)
   Log BAF Arnot-Gobas method (upper trophic) = 1.619 (BAF = 41.58)
       log Kow used: 4.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.12E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  9.12E+005  hours   (3.8E+004 days)
    Half-Life from Model Lake :  9.95E+006  hours   (4.146E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:              43.12  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    42.69  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00792         7.24         1000       
   Water     11.2            900          1000       
   Soil      86.6            1.8e+003     1000       
   Sediment  2.17            8.1e+003     0          
     Persistence Time: 1.84e+003 hr