CAS Number: 84060-80-0
SMILES : CCC=CCCOC(=O)C(=CC)C
CHEM   : [(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate
MOL FOR: C11 H18 O2 
MOL WT : 182.26
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  3.93
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  235.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0572  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.63  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  23.73
       log Kow used: 3.93 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  112.82 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.24E-004  atm-m3/mole  (8.34E+001 Pa-m3/mole)
   Group Method:   4.06E-004  atm-m3/mole  (4.11E+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:  5.781E-004 atm-m3/mole  (5.857E+001 Pa-m3/mole)
      VP:   0.0572 mm Hg (source: MPBPVP)
      WS:   23.7 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.93  (KowWin est)
  Log Kaw used:  -1.473  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.403
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9434
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2349  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0828  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6817
   Biowin6 (MITI Non-Linear Model):   0.7581
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3089
 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):  7.27 Pa (0.0545 mm Hg)
  Log Koa (Koawin est  ): 5.403
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.13E-007 
       Octanol/air (Koa) model:  6.21E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.49E-005 
       Mackay model           :  3.3E-005 
       Octanol/air (Koa) model:  4.97E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.1752 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  98.7752 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.408 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.299 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.393749 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    27.393749 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.349 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.004 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      2.4E-005 (Junge-Pankow, Mackay avg)
      4.97E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  350.5  L/kg (MCI method)
      Log Koc:  2.545       (MCI method)
      Koc    :  1080  L/kg (Kow method)
      Log Koc:  3.033       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.522E-003  L/mol-sec
  Kb Half-Life at pH 8:      14.428  years  
  Kb Half-Life at pH 7:     144.275  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.259 (BCF = 181.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4192 days (HL = 0.3809 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.136 (BCF = 136.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.136 (BAF = 136.9)
       log Kow used: 3.93 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000406 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      3.324  hours
    Half-Life from Model Lake :      149.5  hours   (6.228 days)
 
 Removal In Wastewater Treatment:
    Total removal:              36.74  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    25.07  percent
    Total to Air:               11.40  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.183           0.912        1000       
   Water     21.2            360          1000       
   Soil      78.3            720          1000       
   Sediment  0.313           3.24e+003    0          
     Persistence Time: 359 hr