CAS Number: 2157-01-9
SMILES : O=C(OCCCCCCCC)C(=C)C
CHEM   : 2-Propenoic acid, 2-methyl-, octyl ester
MOL FOR: C12 H22 O2 
MOL WT : 198.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  4.71
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  241.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0426  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.69  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.216
       log Kow used: 4.71 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.5361 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Methacrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.05E-003  atm-m3/mole  (1.07E+002 Pa-m3/mole)
   Group Method:   3.15E-003  atm-m3/mole  (3.19E+002 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:  2.637E-003 atm-m3/mole  (2.672E+002 Pa-m3/mole)
      VP:   0.0426 mm Hg (source: MPBPVP)
      WS:   4.22 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.71  (KowWin est)
  Log Kaw used:  -1.367  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.077
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9357
   Biowin2 (Non-Linear Model)     :   0.9978
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1995  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0597  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8250
   Biowin6 (MITI Non-Linear Model):   0.9129
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5659
 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):  5.47 Pa (0.041 mm Hg)
  Log Koa (Koawin est  ): 6.077
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.49E-007 
       Octanol/air (Koa) model:  2.93E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.98E-005 
       Mackay model           :  4.39E-005 
       Octanol/air (Koa) model:  2.34E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.3455 E-12 cm3/molecule-sec
      Half-Life =     0.377 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.528 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.19E-005 (Junge-Pankow, Mackay avg)
      2.34E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  610.3  L/kg (MCI method)
      Log Koc:  2.786       (MCI method)
      Koc    :  2916  L/kg (Kow method)
      Log Koc:  3.465       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.215E-003  L/mol-sec
  Kb Half-Life at pH 8:      18.080  years  
  Kb Half-Life at pH 7:     180.797  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.402 (BCF = 25.25 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4663 days (HL = 0.3417 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.149 (BCF = 140.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.149 (BAF = 141)
       log Kow used: 4.71 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00315 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.699  hours
    Half-Life from Model Lake :      136.6  hours   (5.692 days)
 
 Removal In Wastewater Treatment:
    Total removal:              79.00  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    56.15  percent
    Total to Air:               22.43  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.19            6.59         1000       
   Water     25.4            360          1000       
   Soil      71.8            720          1000       
   Sediment  0.589           3.24e+003    0          
     Persistence Time: 252 hr