CAS Num: 056172-46-4
SMILES : O=C(OCC=C(CCC=C(C)C)C)C=CC
CHEM   : 2-Butenoic acid, 3,7-dimethyl-2,6-octadienyl ester, (?,E)-
MOL FOR: C14 H22 O2 
MOL WT : 222.33
------------------------------ 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) =  5.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  287.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  13.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00387  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.516  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.115
       log Kow used: 5.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.252 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.00E-003  atm-m3/mole  (2.03E+002 Pa-m3/mole)
   Group Method:   1.41E-004  atm-m3/mole  (1.43E+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:  1.015E-003 atm-m3/mole  (1.029E+002 Pa-m3/mole)
      VP:   0.00387 mm Hg (source: MPBPVP)
      WS:   1.12 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.24  (KowWin est)
  Log Kaw used:  -1.087  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.327
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8159
   Biowin2 (Non-Linear Model)     :   0.9808
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8481  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7559  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5691
   Biowin6 (MITI Non-Linear Model):   0.5084
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4735
 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):  0.516 Pa (0.00387 mm Hg)
  Log Koa (Koawin est  ): 6.327
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.81E-006 
       Octanol/air (Koa) model:  5.21E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00021 
       Mackay model           :  0.000465 
       Octanol/air (Koa) model:  4.17E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 197.8761 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 200.5360 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.649 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.640 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.568748 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    87.137497 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.318 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.316 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000337 (Junge-Pankow, Mackay avg)
      4.17E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1749  L/kg (MCI method)
      Log Koc:  3.243       (MCI method)
      Koc    :  5727  L/kg (Kow method)
      Log Koc:  3.758       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.535E-002  L/mol-sec
  Kb Half-Life at pH 8:     316.506  days   
  Kb Half-Life at pH 7:       8.665  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.126 (BCF = 1337 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1919 days (HL = 1.556 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.784 (BCF = 608.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.794 (BAF = 621.7)
       log Kow used: 5.24 (estimated)

 Volatilization from Water:
    Henry LC:  0.000141 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      7.713  hours
    Half-Life from Model Lake :      209.2  hours   (8.715 days)

 Removal In Wastewater Treatment:
    Total removal:              84.22  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    82.77  percent
    Total to Air:                0.75  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0355          0.255        1000       
   Water     20.2            360          1000       
   Soil      78.6            720          1000       
   Sediment  1.16            3.24e+003    0          
     Persistence Time: 431 hr