7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic 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) =  1.89
    Log Kow (Exper. database match) =  1.91
       Exper. Ref:  Reinert,KH & Rodgers,JH (1984)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  349.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  128.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.29E-006  (Modified Grain method)
    MP  (exp database):  144 deg C
    VP  (exp database):  1.57E-10 mm Hg at 24 deg C
    Subcooled liquid VP: 2.36E-009 mm Hg (24 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2982
       log Kow used: 1.91 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+005 mg/L (20 deg C)
        Exper. Ref:  WSSA (1983)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3891e+005 mg/L
    Wat Sol (Exper. database match) =  100000.00
       Exper. Ref:  WSSA (1983)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.62E-015  atm-m3/mole
   Group Method:   1.51E-016  atm-m3/mole
   Exper Database: 3.85E-16  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  6.810E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.91  (exp database)
  Log Kaw used:  -13.803  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  15.713
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4569
   Biowin2 (Non-Linear Model)     :   0.1445
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5083  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3405  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6113
   Biowin6 (MITI Non-Linear Model):   0.3249
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8702
 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):  3.15E-007 Pa (2.36E-009 mm Hg)
  Log Koa (Koawin est  ): 15.713
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.53 
       Octanol/air (Koa) model:  1.27E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.997 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.3330 E-12 cm3/molecule-sec
      Half-Life =     0.526 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.312 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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: 1.91 (expkow database)

 Volatilization from Water:
    Henry LC:  3.85E-016 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.075E+012  hours   (8.646E+010 days)
    Half-Life from Model Lake : 2.264E+013  hours   (9.432E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               2.17  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.08  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       1.21e-008       12.6         1000       
   Water     23.4            208          1000       
   Soil      76.5            416          1000       
   Sediment  0.0687          1.87e+003    0          
     Persistence Time: 437 hr