CAS Number: 505-48-6
SMILES : O=C(O)CCCCCCC(=O)O
CHEM   : Octanedioic acid
MOL FOR: C8 H14 O4 
MOL WT : 174.20
------------------------------ EPI SUMMARY (v4.10) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  1.21
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  336.56  (Adapted Stein & Brown method)
    Melting Pt (deg C):  119.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.05E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0014  (Modified Grain method)
    MP  (exp database):  144 deg C
    BP  (exp database):  345.5 deg C
    VP  (exp database):  2.88E-07 mm Hg (3.84E-005 Pa) at 25 deg C
    Subcooled liquid VP: 4.33E-006 mm Hg (25 deg C, exp database VP )
                       : 0.000577 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.35e+004
       log Kow used: 1.21 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.19e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4250.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.68E-011  atm-m3/mole  (1.70E-006 Pa-m3/mole)
   Group Method:   1.62E-012  atm-m3/mole  (1.64E-007 Pa-m3/mole)
   Exper Database: 5.55E-12  atm-m3/mole  (5.62E-007 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.783E-010 atm-m3/mole  (1.806E-005 Pa-m3/mole)
      VP:   1.05E-005 mm Hg (source: MPBPVP)
      WS:   1.35E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.21  (KowWin est)
  Log Kaw used:  -9.644  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.854
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8100
   Biowin2 (Non-Linear Model)     :   0.8607
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.5434  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.3676  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8527
   Biowin6 (MITI Non-Linear Model):   0.9124
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.3656
 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):  0.000577 Pa (4.33E-006 mm Hg)
  Log Koa (Koawin est  ): 10.854
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0052 
       Octanol/air (Koa) model:  0.0175 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.158 
       Mackay model           :  0.294 
       Octanol/air (Koa) model:  0.584 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.4154 E-12 cm3/molecule-sec
      Half-Life =     1.271 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.252 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.226 (Junge-Pankow, Mackay avg)
      0.584 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  80.85  L/kg (MCI method)
      Log Koc:  1.908       (MCI method)
      Koc    :  6.684  L/kg (Kow method)
      Log Koc:  0.825       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7061 days (HL = 0.1967 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.381 (BCF = 2.405)
   Log BAF Arnot-Gobas method (upper trophic) = 0.381 (BAF = 2.405)
       log Kow used: 1.21 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.55E-012 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.392E+008  hours   (5.801E+006 days)
    Half-Life from Model Lake : 1.519E+009  hours   (6.329E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  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       0.00017         30.5         1000       
   Water     20.8            208          1000       
   Soil      79.1            416          1000       
   Sediment  0.0931          1.87e+003    0          
     Persistence Time: 451 hr