CAS Number: 188570-78-7
SMILES : CCC=CCCOC(=O)C1CC1
CHEM   : [(Z)-hex-3-enyl] cyclopropanecarboxylate
MOL FOR: C10 H16 O2 
MOL WT : 168.24
------------------------------ 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) =  3.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  219.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.132  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  17.6  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  76.75
       log Kow used: 3.41 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  158.19 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.94E-004  atm-m3/mole  (5.01E+001 Pa-m3/mole)
   Group Method:   5.87E-005  atm-m3/mole  (5.95E+000 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:  3.807E-004 atm-m3/mole  (3.858E+001 Pa-m3/mole)
      VP:   0.132 mm Hg (source: MPBPVP)
      WS:   76.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.41  (KowWin est)
  Log Kaw used:  -1.695  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.105
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9501
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2659  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1030  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7683
   Biowin6 (MITI Non-Linear Model):   0.8610
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3410
 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):  16.4 Pa (0.123 mm Hg)
  Log Koa (Koawin est  ): 5.105
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.83E-007 
       Octanol/air (Koa) model:  3.13E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.61E-006 
       Mackay model           :  1.46E-005 
       Octanol/air (Koa) model:  2.5E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  60.5629 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  68.1629 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.119 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.883 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.06E-005 (Junge-Pankow, Mackay avg)
      2.5E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  223.1  L/kg (MCI method)
      Log Koc:  2.349       (MCI method)
      Koc    :  556.8  L/kg (Kow method)
      Log Koc:  2.746       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.352E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.349  years  
  Kb Half-Life at pH 7:      23.485  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.658 (BCF = 4.547 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9264 days (HL = 0.1185 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.626 (BCF = 42.26)
   Log BAF Arnot-Gobas method (upper trophic) = 1.626 (BAF = 42.26)
       log Kow used: 3.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.87E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      14.26  hours
    Half-Life from Model Lake :      264.3  hours   (11.01 days)
 
 Removal In Wastewater Treatment:
    Total removal:              13.70  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    10.81  percent
    Total to Air:                2.72  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.288           1.41         1000       
   Water     27.1            208          1000       
   Soil      72.4            416          1000       
   Sediment  0.226           1.87e+003    0          
     Persistence Time: 262 hr