CAS Number: 73545-15-0
SMILES : CC=CC(=O)OCC(C)C
CHEM   : 2-Butenoic acid, 2-methylpropyl ester, (E)-
MOL FOR: C8 H14 O2 
MOL WT : 142.20
------------------------------ 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) =  2.54
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  163.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -44.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  280  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  555.2
       log Kow used: 2.54 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1656.9 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.39E-004  atm-m3/mole  (3.44E+001 Pa-m3/mole)
   Group Method:   1.47E-004  atm-m3/mole  (1.49E+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:  7.077E-004 atm-m3/mole  (7.171E+001 Pa-m3/mole)
      VP:   2.1 mm Hg (source: MPBPVP)
      WS:   555 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.54  (KowWin est)
  Log Kaw used:  -1.858  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.398
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8540
   Biowin2 (Non-Linear Model)     :   0.9938
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0251  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8715  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6452
   Biowin6 (MITI Non-Linear Model):   0.7878
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4823
 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):  255 Pa (1.91 mm Hg)
  Log Koa (Koawin est  ): 4.398
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-008 
       Octanol/air (Koa) model:  6.14E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.25E-007 
       Mackay model           :  9.42E-007 
       Octanol/air (Koa) model:  4.91E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.4349 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  27.0949 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.253 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.737 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.568750 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.015 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.007 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      6.84E-007 (Junge-Pankow, Mackay avg)
      4.91E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  54.22  L/kg (MCI method)
      Log Koc:  1.734       (MCI method)
      Koc    :  183.8  L/kg (Kow method)
      Log Koc:  2.264       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.816E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.560  years  
  Kb Half-Life at pH 7:      45.603  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.343 (BCF = 22.03 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1156 days (HL = 0.07663 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.204 (BCF = 15.98)
   Log BAF Arnot-Gobas method (upper trophic) = 1.204 (BAF = 15.98)
       log Kow used: 2.54 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000147 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      5.966  hours
    Half-Life from Model Lake :      165.1  hours   (6.878 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.78  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.97  percent
    Total to Air:                6.72  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.76            8.63         1000       
   Water     29.8            360          1000       
   Soil      68.3            720          1000       
   Sediment  0.121           3.24e+003    0          
     Persistence Time: 320 hr