CAS Num: 010482-79-8
SMILES : O=C(OCCC(CCC=C(C)C)C)C=Cc(cccc1)c1
CHEM   : 2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester
MOL FOR: C19 H26 O2 
MOL WT : 286.42
------------------------------ 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) =  6.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  360.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  69.48  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.83E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00378  (Modified Grain method)
    Subcooled liquid VP: 7.43E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0099 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.03791
       log Kow used: 6.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.092018 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.51E-005  atm-m3/mole  (5.58E+000 Pa-m3/mole)
   Group Method:   4.77E-006  atm-m3/mole  (4.83E-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:  2.813E-004 atm-m3/mole  (2.851E+001 Pa-m3/mole)
      VP:   2.83E-005 mm Hg (source: MPBPVP)
      WS:   0.0379 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.54  (KowWin est)
  Log Kaw used:  -2.647  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.187
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9135
   Biowin2 (Non-Linear Model)     :   0.9920
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7284  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6684  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4117
   Biowin6 (MITI Non-Linear Model):   0.2821
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2278
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00991 Pa (7.43E-005 mm Hg)
  Log Koa (Koawin est  ): 9.187
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000303 
       Octanol/air (Koa) model:  0.000378 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0108 
       Mackay model           :  0.0237 
       Octanol/air (Koa) model:  0.0293 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.6605 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 120.3205 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.091 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.067 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    44.049999 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    45.099998 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     0.624 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.610 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0172 (Junge-Pankow, Mackay avg)
      0.0293 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.59E+004  L/kg (MCI method)
      Log Koc:  4.555       (MCI method)
      Koc    :  2.999E+004  L/kg (Kow method)
      Log Koc:  4.477       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.614E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.285  years  
  Kb Half-Life at pH 7:      22.845  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.985 (BCF = 9663 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2177 days (HL = 1.651 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.597 (BCF = 395.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.760 (BAF = 575.8)
       log Kow used: 6.54 (estimated)

 Volatilization from Water:
    Henry LC:  4.77E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      209.5  hours   (8.727 days)
    Half-Life from Model Lake :       2427  hours   (101.1 days)

 Removal In Wastewater Treatment:
    Total removal:              93.49  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.71  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0178          0.486        1000       
   Water     12.6            900          1000       
   Soil      65.3            1.8e+003     1000       
   Sediment  22              8.1e+003     0          
     Persistence Time: 1.32e+003 hr