(1E)-1-Chloro-1-undecen-3-one

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.

                    
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.20

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  256.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0309  (Modified Grain method)
    Subcooled liquid VP: 0.0314 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  10.9
       log Kow used: 4.20 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.8628 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Halides

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.37E-004  atm-m3/mole
   Group Method:   5.35E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  7.562E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (KowWin est)
  Log Kaw used:  -2.252  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.452
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6549
   Biowin2 (Non-Linear Model)     :   0.4177
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8539  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7015  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5866
   Biowin6 (MITI Non-Linear Model):   0.4876
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0671
 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):  4.19 Pa (0.0314 mm Hg)
  Log Koa (Koawin est  ): 6.452
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.17E-007 
       Octanol/air (Koa) model:  6.95E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.59E-005 
       Mackay model           :  5.73E-005 
       Octanol/air (Koa) model:  5.56E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.9699 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  24.4063 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    5.588 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    5.259 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.012513 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.025025 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    91.588 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    45.794 Days (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi): 4.16E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  536.9
      Log Koc:  2.730 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.537 (BCF = 34.41)
       log Kow used: 4.20 (estimated)

 Volatilization from Water:
    Henry LC:  5.35E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      17.03  hours
    Half-Life from Model Lake :      305.2  hours   (12.72 days)

 Removal In Wastewater Treatment:
    Total removal:              41.20  percent
    Total biodegradation:        0.39  percent
    Total sludge adsorption:    39.17  percent
    Total to Air:                1.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.11            11.1         1000       
   Water     21              360          1000       
   Soil      73.7            720          1000       
   Sediment  4.14            3.24e+003    0          
     Persistence Time: 468 hr