CAS Number: 591-63-9
SMILES : CCCCOC(=O)C=CC
CHEM   : butyl (E)-but-2-enoate
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) =  2.61
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  176.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.14  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  152  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  480.5
       log Kow used: 2.61 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  988.69 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:   1.23E-004  atm-m3/mole  (1.24E+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:  4.439E-004 atm-m3/mole  (4.498E+001 Pa-m3/mole)
      VP:   1.14 mm Hg (source: MPBPVP)
      WS:   481 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.61  (KowWin est)
  Log Kaw used:  -1.858  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.468
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9625
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3235  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1406  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7943
   Biowin6 (MITI Non-Linear Model):   0.9047
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4620
 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):  139 Pa (1.04 mm Hg)
  Log Koa (Koawin est  ): 4.468
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.16E-008 
       Octanol/air (Koa) model:  7.21E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.81E-007 
       Mackay model           :  1.73E-006 
       Octanol/air (Koa) model:  5.77E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.4433 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  27.1033 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.251 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.736 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):
      1.26E-006 (Junge-Pankow, Mackay avg)
      5.77E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  64.46  L/kg (MCI method)
      Log Koc:  1.809       (MCI method)
      Koc    :  201  L/kg (Kow method)
      Log Koc:  2.303       (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 = 1.391 (BCF = 24.63 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0644 days (HL = 0.08622 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.269 (BCF = 18.6)
   Log BAF Arnot-Gobas method (upper trophic) = 1.269 (BAF = 18.6)
       log Kow used: 2.61 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000123 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      6.893  hours
    Half-Life from Model Lake :      175.2  hours   (7.299 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.07  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.22  percent
    Total to Air:                5.75  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.08            8.63         1000       
   Water     29.6            208          1000       
   Soil      68.2            416          1000       
   Sediment  0.117           1.87e+003    0          
     Persistence Time: 233 hr