CAS Num: 025415-77-4
SMILES : O=C(OCCC(C)C)C=CC
CHEM   : 2-Butenoic acid, 3-methylbutyl ester
MOL FOR: C9 H16 O2 
MOL WT : 156.23
------------------------------ 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) =  3.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  184.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -32.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.764  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  102  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  183.6
       log Kow used: 3.03 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  528.62 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.50E-004  atm-m3/mole  (4.56E+001 Pa-m3/mole)
   Group Method:   2.08E-004  atm-m3/mole  (2.11E+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:  8.554E-004 atm-m3/mole  (8.667E+001 Pa-m3/mole)
      VP:   0.764 mm Hg (source: MPBPVP)
      WS:   184 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.03  (KowWin est)
  Log Kaw used:  -1.735  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.765
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8474
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9941  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8513  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6529
   Biowin6 (MITI Non-Linear Model):   0.7919
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5083
 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):  92.7 Pa (0.695 mm Hg)
  Log Koa (Koawin est  ): 4.765
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.24E-008 
       Octanol/air (Koa) model:  1.43E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.17E-006 
       Mackay model           :  2.59E-006 
       Octanol/air (Koa) model:  1.14E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.8479 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  28.5079 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.966 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.502 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):
      1.88E-006 (Junge-Pankow, Mackay avg)
      1.14E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  98.81  L/kg (MCI method)
      Log Koc:  1.995       (MCI method)
      Koc    :  343.2  L/kg (Kow method)
      Log Koc:  2.535       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  7.497E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.929  years  
  Kb Half-Life at pH 7:      29.295  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.667 (BCF = 46.45 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9764 days (HL = 0.1056 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.495 (BCF = 31.26)
   Log BAF Arnot-Gobas method (upper trophic) = 1.495 (BAF = 31.26)
       log Kow used: 3.03 (estimated)

 Volatilization from Water:
    Henry LC:  0.000208 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.794  hours
    Half-Life from Model Lake :      157.1  hours   (6.546 days)

 Removal In Wastewater Treatment:
    Total removal:              14.35  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.53  percent
    Total to Air:                8.70  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.64            8.24         1000       
   Water     26.3            360          1000       
   Soil      71.9            720          1000       
   Sediment  0.153           3.24e+003    0          
     Persistence Time: 333 hr