CAS Num: 071820-56-9
SMILES : O=C(OCC=C(C)C)CCC
CHEM   : Butanoic acid, 3-methyl-2-butenyl 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) =  3.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  191.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -30.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.549  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  73.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  142.2
       log Kow used: 3.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  518.38 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.97E-004  atm-m3/mole  (1.01E+002 Pa-m3/mole)
   Group Method:   4.66E-004  atm-m3/mole  (4.72E+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:  7.936E-004 atm-m3/mole  (8.042E+001 Pa-m3/mole)
      VP:   0.549 mm Hg (source: MPBPVP)
      WS:   142 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.16  (KowWin est)
  Log Kaw used:  -1.390  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.550
      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)    :   0.7468
   Biowin6 (MITI Non-Linear Model):   0.8626
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7737
 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):  66.7 Pa (0.5 mm Hg)
  Log Koa (Koawin est  ): 4.550
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.5E-008 
       Octanol/air (Koa) model:  8.71E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.63E-006 
       Mackay model           :  3.6E-006 
       Octanol/air (Koa) model:  6.97E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.3386 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.421 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.61E-006 (Junge-Pankow, Mackay avg)
      6.97E-007 (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    :  404.9  L/kg (Kow method)
      Log Koc:  2.607       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.798E-001  L/mol-sec
  Kb Half-Life at pH 8:      44.625  days   
  Kb Half-Life at pH 7:       1.222  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.753 (BCF = 56.57 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8200 days (HL = 0.1514 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.647 (BCF = 44.38)
   Log BAF Arnot-Gobas method (upper trophic) = 1.647 (BAF = 44.38)
       log Kow used: 3.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.000466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.846  hours
    Half-Life from Model Lake :      135.9  hours   (5.66 days)

 Removal In Wastewater Treatment:
    Total removal:              22.79  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     6.53  percent
    Total to Air:               16.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.168           0.522        1000       
   Water     29.1            360          1000       
   Soil      70.6            720          1000       
   Sediment  0.169           3.24e+003    0          
     Persistence Time: 265 hr