CAS Number: 21016-46-6
SMILES : CC(C)C=C(C)C(=O)OCC
CHEM   : ethyl (E)-2,4-dimethylpent-2-enoate
MOL FOR: C9 H16 O2 
MOL WT : 156.23
------------------------------ 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) =  3.09
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  179.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -41.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.01  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  134  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  164.4
       log Kow used: 3.09 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  868.75 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.31E-004  atm-m3/mole  (5.38E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.263E-003 atm-m3/mole  (1.280E+002 Pa-m3/mole)
      VP:   1.01 mm Hg (source: MPBPVP)
      WS:   164 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (KowWin est)
  Log Kaw used:  -1.663  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.753
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8474
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9941  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8513  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5977
   Biowin6 (MITI Non-Linear Model):   0.7105
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4763
 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):  122 Pa (0.914 mm Hg)
  Log Koa (Koawin est  ): 4.753
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-008 
       Octanol/air (Koa) model:  1.39E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.89E-007 
       Mackay model           :  1.97E-006 
       Octanol/air (Koa) model:  1.11E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  34.4872 E-12 cm3/molecule-sec
      Half-Life =     0.310 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.722 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.43E-006 (Junge-Pankow, Mackay avg)
      1.11E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  88.76  L/kg (MCI method)
      Log Koc:  1.948       (MCI method)
      Koc    :  370.4  L/kg (Kow method)
      Log Koc:  2.569       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.954E-003  L/mol-sec
  Kb Half-Life at pH 8:      11.238  years  
  Kb Half-Life at pH 7:     112.381  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.704 (BCF = 50.59 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8371 days (HL = 0.1455 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.611 (BCF = 40.81)
   Log BAF Arnot-Gobas method (upper trophic) = 1.611 (BAF = 40.81)
       log Kow used: 3.09 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000531 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.654  hours
    Half-Life from Model Lake :      133.8  hours   (5.573 days)
 
 Removal In Wastewater Treatment:
    Total removal:              23.81  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     5.76  percent
    Total to Air:               17.95  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.862           2.48         1000       
   Water     30.6            360          1000       
   Soil      68.3            720          1000       
   Sediment  0.166           3.24e+003    0          
     Persistence Time: 247 hr