Decanoic acid

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) =  4.02
    Log Kow (Exper. database match) =  4.09
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  278.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  62.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00878  (Modified Grain method)
    MP  (exp database):  31.9 deg C
    BP  (exp database):  268.7 deg C
    VP  (exp database):  3.66E-04 mm Hg at 25 deg C
    Subcooled liquid VP: 0.000428 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  47.89
       log Kow used: 4.09 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  61.8 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  111.89 mg/L
    Wat Sol (Exper. database match) =  61.80
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Surfactants-anionic-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.28E-006  atm-m3/mole
   Group Method:   4.66E-006  atm-m3/mole
   Exper Database: 1.34E-06  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.156E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.09  (exp database)
  Log Kaw used:  -4.261  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.351
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8467
   Biowin2 (Non-Linear Model)     :   0.9548
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4814  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2538  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7765
   Biowin6 (MITI Non-Linear Model):   0.8950
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8335
 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):  0.0571 Pa (0.000428 mm Hg)
  Log Koa (Koawin est  ): 8.351
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.26E-005 
       Octanol/air (Koa) model:  5.51E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0019 
       Mackay model           :  0.00419 
       Octanol/air (Koa) model:  0.00439 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.1760 E-12 cm3/molecule-sec
      Half-Life =     0.957 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    11.485 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00304 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  87.16
      Log Koc:  1.940 

 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: 4.09 (expkow database)

 Volatilization from Water:
    Henry LC:  1.34E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      574.8  hours   (23.95 days)
    Half-Life from Model Lake :       6381  hours   (265.9 days)

 Removal In Wastewater Treatment:
    Total removal:              34.38  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.97  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.6             23           1000       
   Water     25.7            208          1000       
   Soil      69.2            416          1000       
   Sediment  2.54            1.87e+003    0          
     Persistence Time: 301 hr