CAS Number: 4534-53-6
SMILES : c1ccccc1C(C)CCCCCCCCCCC
CHEM   : Benzene, (1-methyldodecyl)-
MOL FOR: C19 H32 
MOL WT : 260.47
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  8.36
    Log Kow (Exper. database match) =  8.77
       Exper. Ref:  SHERBLOM,PM ET AL. (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  329.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  51.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000229  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0306  (Modified Grain method)
    Subcooled liquid VP: 0.0004 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0534 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0006698
       log Kow used: 8.77 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00080249 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.78E-001  atm-m3/mole  (1.81E+004 Pa-m3/mole)
   Group Method:   3.88E-001  atm-m3/mole  (3.93E+004 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:  1.172E-001 atm-m3/mole  (1.187E+004 Pa-m3/mole)
      VP:   0.000229 mm Hg (source: MPBPVP)
      WS:   0.00067 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.77  (exp database)
  Log Kaw used:  0.862  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.908
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9147
   Biowin2 (Non-Linear Model)     :   0.9715
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8691  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6774  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4636
   Biowin6 (MITI Non-Linear Model):   0.5506
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2788
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6911
     BioHC Half-Life (days)     :  49.0972
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0533 Pa (0.0004 mm Hg)
  Log Koa (Koawin est  ): 7.908
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.62E-005 
       Octanol/air (Koa) model:  1.99E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00203 
       Mackay model           :  0.00448 
       Octanol/air (Koa) model:  0.00159 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.2130 E-12 cm3/molecule-sec
      Half-Life =     0.504 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.051 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00325 (Junge-Pankow, Mackay avg)
      0.00159 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.952E+005  L/kg (MCI method)
      Log Koc:  5.470       (MCI method)
      Koc    :  4.084E+007  L/kg (Kow method)
      Log Koc:  7.611       (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 = 2.660 (BCF = 457.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2727 days (HL = 18.74 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.781 (BCF = 60.36)
   Log BAF Arnot-Gobas method (upper trophic) = 4.354 (BAF = 2.258e+004)
       log Kow used: 8.77 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.388 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.649  hours
    Half-Life from Model Lake :      153.3  hours   (6.388 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.10  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.85  percent
    Total to Air:                0.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.41            12.1         1000       
   Water     25.4            360          1000       
   Soil      66              720          1000       
   Sediment  7.19            3.24e+003    0          
     Persistence Time: 427 hr