CAS Number: 103-11-7
SMILES : O=C(OCC(CCCC)CC)C=C
CHEM   : 2-Propenoic acid, 2-ethylhexyl ester
MOL FOR: C11 H20 O2 
MOL WT : 184.28
------------------------------ 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) =  4.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  216.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.43  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.183  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  24.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -90 deg C
    BP  (exp database):  213.5 deg C
    VP  (exp database):  1.78E-01 mm Hg (2.37E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  16.8
       log Kow used: 4.09 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  100 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  24.593 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.72E-004  atm-m3/mole  (6.81E+001 Pa-m3/mole)
   Group Method:   6.00E-004  atm-m3/mole  (6.08E+001 Pa-m3/mole)
   Exper Database: 4.32E-04  atm-m3/mole  (4.38E+001 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:  2.641E-003 atm-m3/mole  (2.676E+002 Pa-m3/mole)
      VP:   0.183 mm Hg (source: MPBPVP)
      WS:   16.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (KowWin est)
  Log Kaw used:  -1.753  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.843
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9424
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2305  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0799  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7234
   Biowin6 (MITI Non-Linear Model):   0.8610
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2746
 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):  23.7 Pa (0.178 mm Hg)
  Log Koa (Koawin est  ): 5.843
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-007 
       Octanol/air (Koa) model:  1.71E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.57E-006 
       Mackay model           :  1.01E-005 
       Octanol/air (Koa) model:  1.37E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.1115 E-12 cm3/molecule-sec
      Half-Life =     0.532 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.382 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      7.34E-006 (Junge-Pankow, Mackay avg)
      1.37E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  359.5  L/kg (MCI method)
      Log Koc:  2.556       (MCI method)
      Koc    :  1324  L/kg (Kow method)
      Log Koc:  3.122       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.330E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.651  years  
  Kb Half-Life at pH 7:      16.512  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.367 (BCF = 232.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7619 days (HL = 0.173 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.846 (BCF = 70.15)
   Log BAF Arnot-Gobas method (upper trophic) = 1.846 (BAF = 70.15)
       log Kow used: 4.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000432 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.225  hours
    Half-Life from Model Lake :        149  hours   (6.209 days)
 
 Removal In Wastewater Treatment:
    Total removal:              43.05  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    32.01  percent
    Total to Air:               10.73  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            11.8         1000       
   Water     20.8            360          1000       
   Soil      76.8            720          1000       
   Sediment  0.313           3.24e+003    0          
     Persistence Time: 364 hr