CAS Num: 019139-31-2
SMILES : O=C(OCCCCCC)C=CC(=O)OCCCCCC
CHEM   : 2-Butenedioic acid (E)-, dihexyl ester
MOL FOR: C16 H28 O4 
MOL WT : 284.40
------------------------------ 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) =  6.12

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  326.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000485  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0646  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.08899
       log Kow used: 6.12 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2963 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.36E-006  atm-m3/mole  (2.39E-001 Pa-m3/mole)
   Group Method:   3.88E-007  atm-m3/mole  (3.93E-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:  2.039E-003 atm-m3/mole  (2.066E+002 Pa-m3/mole)
      VP:   0.000485 mm Hg (source: MPBPVP)
      WS:   0.089 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.12  (KowWin est)
  Log Kaw used:  -4.016  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.136
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1774
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4478  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.4335  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0609
   Biowin6 (MITI Non-Linear Model):   0.9734
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4980
 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):  0.0647 Pa (0.000485 mm Hg)
  Log Koa (Koawin est  ): 10.136
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.64E-005 
       Octanol/air (Koa) model:  0.00336 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00167 
       Mackay model           :  0.0037 
       Octanol/air (Koa) model:  0.212 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.6957 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  22.6267 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.916 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    5.673 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.087500 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.00269 (Junge-Pankow, Mackay avg)
      0.212 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1157  L/kg (MCI method)
      Log Koc:  3.063       (MCI method)
      Koc    :  1.51E+004  L/kg (Kow method)
      Log Koc:  4.179       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.569E-001  L/mol-sec
  Kb Half-Life at pH 8:      12.211  days   
  Kb Half-Life at pH 7:     122.110  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.334 (BCF = 215.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9071 days (HL = 0.1238 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.623 (BCF = 42.02)
   Log BAF Arnot-Gobas method (upper trophic) = 1.624 (BAF = 42.06)
       log Kow used: 6.12 (estimated)

 Volatilization from Water:
    Henry LC:  3.88E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2546  hours   (106.1 days)
    Half-Life from Model Lake : 2.792E+004  hours   (1163 days)

 Removal In Wastewater Treatment:
    Total removal:              92.60  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.83  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       1.43            11.4         1000       
   Water     26.2            208          1000       
   Soil      71.7            416          1000       
   Sediment  0.675           1.87e+003    0          
     Persistence Time: 299 hr