CAS Number: 26761-40-0
SMILES : CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
CHEM   : 1,2-Benzenedicarboxylic acid, diisodecyl ester
MOL FOR: C28 H46 O4 
MOL WT : 446.68
------------------------------ 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) =  10.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  463.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  105.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.29E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.05E-005  (Modified Grain method)
    MP  (exp database):  -45.6 deg C
    VP  (exp database):  5.28E-07 mm Hg (7.04E-005 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.239e-006
       log Kow used: 10.36 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.28 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.039e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.67E-005  atm-m3/mole  (3.72E+000 Pa-m3/mole)
   Group Method:   4.06E-005  atm-m3/mole  (4.11E+000 Pa-m3/mole)
   Exper Database: 1.11E-06  atm-m3/mole  (1.12E-001 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:  6.011E-002 atm-m3/mole  (6.091E+003 Pa-m3/mole)
      VP:   2.29E-007 mm Hg (source: MPBPVP)
      WS:   2.24E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.36  (KowWin est)
  Log Kaw used:  -4.343  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  14.703
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8833
   Biowin2 (Non-Linear Model)     :   0.9920
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4925  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6612  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6957
   Biowin6 (MITI Non-Linear Model):   0.7098
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5119
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.04E-005 Pa (5.28E-007 mm Hg)
  Log Koa (Koawin est  ): 14.703
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0426 
       Octanol/air (Koa) model:  124 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.606 
       Mackay model           :  0.773 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.2168 E-12 cm3/molecule-sec
      Half-Life =     0.408 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.896 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.69 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.099E+006  L/kg (MCI method)
      Log Koc:  6.041       (MCI method)
      Koc    :  3.345E+006  L/kg (Kow method)
      Log Koc:  6.524       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.408E-002  L/mol-sec
  Kb Half-Life at pH 8:     125.185  days   
  Kb Half-Life at pH 7:       3.427  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.883 (BCF = 76.38 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5537 days (HL = 3.579 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.081 (BCF = 1.204)
   Log BAF Arnot-Gobas method (upper trophic) = 0.949 (BAF = 8.892)
       log Kow used: 10.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.11E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1117  hours   (46.54 days)
    Half-Life from Model Lake : 1.236E+004  hours   (515.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.301           9.79         1000       
   Water     16.2            900          1000       
   Soil      82.6            1.8e+003     1000       
   Sediment  0.926           8.1e+003     0          
     Persistence Time: 1.18e+003 hr