(2E)-12-Fluoro-2-dodecenoic acid

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) =  4.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  314.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  88.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000219  (Modified Grain method)
    Subcooled liquid VP: 0.000901 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):  8.27
       log Kow used: 4.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1307 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.69E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.537E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.72  (KowWin est)
  Log Kaw used:  -3.449  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.169
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7173
   Biowin2 (Non-Linear Model)     :   0.6412
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0858  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9212  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7243
   Biowin6 (MITI Non-Linear Model):   0.0660
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1097
 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):  0.12 Pa (0.000901 mm Hg)
  Log Koa (Koawin est  ): 8.169
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.5E-005 
       Octanol/air (Koa) model:  3.62E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000901 
       Mackay model           :  0.00199 
       Octanol/air (Koa) model:  0.00289 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.6959 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  33.3559 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    4.181 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    3.848 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): 0.00145 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  546.9
      Log Koc:  2.738 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 4.72 (estimated)

 Volatilization from Water:
    Henry LC:  8.69E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      100.6  hours   (4.191 days)
    Half-Life from Model Lake :       1221  hours   (50.86 days)

 Removal In Wastewater Treatment:
    Total removal:              66.97  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    66.23  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.606           7.13         1000       
   Water     20.3            360          1000       
   Soil      66.4            720          1000       
   Sediment  12.6            3.24e+003    0          
     Persistence Time: 523 hr