CAS Number: 581-42-0
SMILES : Cc2ccc1cc(C)ccc1c2
CHEM   : 2,6-Dimethylnaphthalene
MOL FOR: C12 H12 
MOL WT : 156.23
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.26
    Log Kow (Exper. database match) =  4.31
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  266.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  39.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00245  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.327  (Modified Grain method)
    MP  (exp database):  97 deg C
    BP  (exp database):  265 deg C
    VP  (exp database):  5.68E-03 mm Hg (7.57E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.0293 mm Hg (25 deg C, exp database VP )
                       : 3.9 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.85
       log Kow used: 4.31 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.2212 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.41E-004  atm-m3/mole  (6.49E+001 Pa-m3/mole)
   Group Method:   4.25E-004  atm-m3/mole  (4.31E+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:  3.391E-005 atm-m3/mole  (3.436E+000 Pa-m3/mole)
      VP:   0.00245 mm Hg (source: MPBPVP)
      WS:   14.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.31  (exp database)
  Log Kaw used:  -1.582  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.892
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7825
   Biowin2 (Non-Linear Model)     :   0.8748
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7042  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4853  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3796
   Biowin6 (MITI Non-Linear Model):   0.3432
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4800
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.1526
     BioHC Half-Life (days)     :  14.2117
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.91 Pa (0.0293 mm Hg)
  Log Koa (Koawin est  ): 5.892
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.68E-007 
       Octanol/air (Koa) model:  1.91E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.77E-005 
       Mackay model           :  6.14E-005 
       Octanol/air (Koa) model:  1.53E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  69.3968 E-12 cm3/molecule-sec
      Half-Life =     0.154 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.850 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.46E-005 (Junge-Pankow, Mackay avg)
      1.53E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3975  L/kg (MCI method)
      Log Koc:  3.599       (MCI method)
      Koc    :  5499  L/kg (Kow method)
      Log Koc:  3.740       (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 v3.00):
   Log BCF from regression-based method = 2.511 (BCF = 324.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4433 days (HL = 2.775 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.873 (BCF = 746.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.877 (BAF = 752.8)
       log Kow used: 4.31 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000425 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.997  hours
    Half-Life from Model Lake :      137.5  hours   (5.729 days)
 
 Removal In Wastewater Treatment:
    Total removal:              52.17  percent
    Total biodegradation:        0.40  percent
    Total sludge adsorption:    43.09  percent
    Total to Air:                8.67  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.271           3.7          1000       
   Water     10.5            900          1000       
   Soil      86.8            1.8e+003     1000       
   Sediment  2.41            8.1e+003     0          
     Persistence Time: 946 hr