Ethyl (2E)-3-[(1S,2S,3R)-2-(acetoxymethyl)-3-(iodomethyl)cyclopropyl]acrylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.56

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  329.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000395  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.459
       log Kow used: 3.56 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.034 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Acrylates
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.68E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.353E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.56  (KowWin est)
  Log Kaw used:  -5.718  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.278
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9282
   Biowin2 (Non-Linear Model)     :   0.9979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7013  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7976  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5507
   Biowin6 (MITI Non-Linear Model):   0.1477
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0699
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0527 Pa (0.000395 mm Hg)
  Log Koa (Koawin est  ): 9.278
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.7E-005 
       Octanol/air (Koa) model:  0.000466 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00205 
       Mackay model           :  0.00454 
       Octanol/air (Koa) model:  0.0359 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.0487 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  26.7087 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.337 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    4.806 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): 0.00329 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  204.3
      Log Koc:  2.310 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  7.661E-002  L/mol-sec
  Kb Half-Life at pH 8:     104.706  days   
  Kb Half-Life at pH 7:       2.867  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.043 (BCF = 110.3)
       log Kow used: 3.56 (estimated)

 Volatilization from Water:
    Henry LC:  4.68E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.348E+004  hours   (978.3 days)
    Half-Life from Model Lake : 2.563E+005  hours   (1.068E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              14.47  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.27  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.171           8.74         1000       
   Water     14.7            900          1000       
   Soil      83.9            1.8e+003     1000       
   Sediment  1.23            8.1e+003     0          
     Persistence Time: 1.36e+003 hr