CAS Num: 003698-89-3
SMILES : S(CCCCCCCCCCCC)C
CHEM   : Dodecane, 1-(methylthio)-
MOL FOR: C13 H28 S1 
MOL WT : 216.43
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  274.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  22.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00704  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.939  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1437
       log Kow used: 6.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.086202 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.77E-002  atm-m3/mole  (1.80E+003 Pa-m3/mole)
   Group Method:   6.29E-002  atm-m3/mole  (6.37E+003 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:  1.395E-002 atm-m3/mole  (1.414E+003 Pa-m3/mole)
      VP:   0.00704 mm Hg (source: MPBPVP)
      WS:   0.144 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.32  (KowWin est)
  Log Kaw used:  -0.140  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.460
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7529
   Biowin2 (Non-Linear Model)     :   0.8556
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0192  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8046  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6127
   Biowin6 (MITI Non-Linear Model):   0.7390
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6451
 Ready Biodegradability Prediction:   YES

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0928
     BioHC Half-Life (days)     :  12.3826

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.975 Pa (0.00731 mm Hg)
  Log Koa (Koawin est  ): 6.460
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.08E-006 
       Octanol/air (Koa) model:  7.08E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000111 
       Mackay model           :  0.000246 
       Octanol/air (Koa) model:  5.66E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.7551 E-12 cm3/molecule-sec
      Half-Life =     0.415 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.984 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000179 (Junge-Pankow, Mackay avg)
      5.66E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.6E+004  L/kg (MCI method)
      Log Koc:  4.204       (MCI method)
      Koc    :  3.053E+005  L/kg (Kow method)
      Log Koc:  5.485       (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 = 2.463 (BCF = 290.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6411 days (HL = 4.376 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.085 (BCF = 1215)
   Log BAF Arnot-Gobas method (upper trophic) = 3.530 (BAF = 3385)
       log Kow used: 6.32 (estimated)

 Volatilization from Water:
    Henry LC:  0.0629 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.515  hours
    Half-Life from Model Lake :      139.9  hours   (5.828 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.56  percent
    Total biodegradation:        0.56  percent
    Total sludge adsorption:    80.62  percent
    Total to Air:               14.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.53            9.97         1000       
   Water     21              360          1000       
   Soil      67.5            720          1000       
   Sediment  8.95            3.24e+003    0          
     Persistence Time: 303 hr