CAS Number: 2998-04-1
SMILES : O=C(OCC=C)CCCCC(=O)OCC=C
CHEM   : Hexanedioic acid, di-2-propenyl ester
MOL FOR: C12 H18 O4 
MOL WT : 226.27
------------------------------ 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) =  3.08
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  259.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0166  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.22  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  74.86
       log Kow used: 3.08 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  70.19 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.68E-006  atm-m3/mole  (1.71E-001 Pa-m3/mole)
   Group Method:   2.45E-007  atm-m3/mole  (2.48E-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:  6.602E-005 atm-m3/mole  (6.689E+000 Pa-m3/mole)
      VP:   0.0166 mm Hg (source: MPBPVP)
      WS:   74.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.08  (KowWin est)
  Log Kaw used:  -4.163  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.243
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9882
   Biowin2 (Non-Linear Model)     :   0.9996
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9796  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9792  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0601
   Biowin6 (MITI Non-Linear Model):   0.9743
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8946
 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):  2.21 Pa (0.0166 mm Hg)
  Log Koa (Koawin est  ): 7.243
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.36E-006 
       Octanol/air (Koa) model:  4.3E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.9E-005 
       Mackay model           :  0.000108 
       Octanol/air (Koa) model:  0.000344 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  59.1272 E-12 cm3/molecule-sec
      Half-Life =     0.181 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.171 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.400000 E-17 cm3/molecule-sec
      Half-Life =     0.477 Days (at 7E11 mol/cm3)
      Half-Life =     11.460 Hrs
   Fraction sorbed to airborne particulates (phi):
      7.87E-005 (Junge-Pankow, Mackay avg)
      0.000344 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  104.9  L/kg (MCI method)
      Log Koc:  2.021       (MCI method)
      Koc    :  314.5  L/kg (Kow method)
      Log Koc:  2.498       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.634E-001  L/mol-sec
  Kb Half-Life at pH 8:      49.085  days   
  Kb Half-Life at pH 7:       1.344  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.698 (BCF = 49.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.9540 days (HL = 0.01112 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.788 (BCF = 6.143)
   Log BAF Arnot-Gobas method (upper trophic) = 0.788 (BAF = 6.143)
       log Kow used: 3.08 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.45E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3596  hours   (149.8 days)
    Half-Life from Model Lake : 3.936E+004  hours   (1640 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.44  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.30  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       0.31            3.15         1000       
   Water     27.5            360          1000       
   Soil      72              720          1000       
   Sediment  0.166           3.24e+003    0          
     Persistence Time: 452 hr