CAS Num: 067634-01-9
SMILES : O=C(OCC=C)COCC(CC)C
CHEM   : Acetic acid, (2-methylbutoxy)-, 2-propenyl ester
MOL FOR: C10 H18 O3 
MOL WT : 186.25
------------------------------ 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) =  2.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  217.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.148  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  19.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  510.7
       log Kow used: 2.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1610.8 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 :   5.93E-005  atm-m3/mole  (6.01E+000 Pa-m3/mole)
   Group Method:   2.18E-005  atm-m3/mole  (2.21E+000 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:  7.102E-005 atm-m3/mole  (7.196E+000 Pa-m3/mole)
      VP:   0.148 mm Hg (source: MPBPVP)
      WS:   511 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.34  (KowWin est)
  Log Kaw used:  -2.615  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.955
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4857
   Biowin2 (Non-Linear Model)     :   0.7338
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9191  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7982  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6696
   Biowin6 (MITI Non-Linear Model):   0.7739
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3091
 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):  18.3 Pa (0.137 mm Hg)
  Log Koa (Koawin est  ): 4.955
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.64E-007 
       Octanol/air (Koa) model:  2.21E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.93E-006 
       Mackay model           :  1.31E-005 
       Octanol/air (Koa) model:  1.77E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  46.4035 E-12 cm3/molecule-sec
      Half-Life =     0.230 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.766 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      9.54E-006 (Junge-Pankow, Mackay avg)
      1.77E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  46.16  L/kg (MCI method)
      Log Koc:  1.664       (MCI method)
      Koc    :  115.7  L/kg (Kow method)
      Log Koc:  2.063       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.176E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.299  days   
  Kb Half-Life at pH 7:      12.989  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.214 (BCF = 16.36 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3857 days (HL = 0.04115 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.950 (BCF = 8.904)
   Log BAF Arnot-Gobas method (upper trophic) = 0.950 (BAF = 8.904)
       log Kow used: 2.34 (estimated)

 Volatilization from Water:
    Henry LC:  5.93E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.87  hours
    Half-Life from Model Lake :      276.6  hours   (11.53 days)

 Removal In Wastewater Treatment:
    Total removal:               5.68  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.56  percent
    Total to Air:                3.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.731           4.46         1000       
   Water     30.7            360          1000       
   Soil      68.5            720          1000       
   Sediment  0.115           3.24e+003    0          
     Persistence Time: 361 hr