CAS Num: 000880-36-4
SMILES : s(cc1)c(c1)CCCCCCCC
CHEM   : THIOPHENE, 2-OCTYL-
MOL FOR: C12 H20 S1 
MOL WT : 196.35
------------------------------ 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) =  5.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  272.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  52.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00456  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.608  (Modified Grain method)
    Subcooled liquid VP: 0.0081 mm Hg (25 deg C, Mod-Grain method)
                       : 1.08 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.5104
       log Kow used: 5.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.43653 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiophenes

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.35E-002  atm-m3/mole  (2.38E+003 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.308E-003 atm-m3/mole  (2.339E+002 Pa-m3/mole)
      VP:   0.00456 mm Hg (source: MPBPVP)
      WS:   0.51 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.80  (KowWin est)
  Log Kaw used:  -0.017  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.817
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8172
   Biowin2 (Non-Linear Model)     :   0.9335
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9887  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7650  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3939
   Biowin6 (MITI Non-Linear Model):   0.4230
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1866
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6155
     BioHC Half-Life (days)     :  41.2550

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.08 Pa (0.0081 mm Hg)
  Log Koa (Koawin est  ): 5.817
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.78E-006 
       Octanol/air (Koa) model:  1.61E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0001 
       Mackay model           :  0.000222 
       Octanol/air (Koa) model:  1.29E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.2108 E-12 cm3/molecule-sec
      Half-Life =     0.322 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.865 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000161 (Junge-Pankow, Mackay avg)
      1.29E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8969  L/kg (MCI method)
      Log Koc:  3.953       (MCI method)
      Koc    :  1.08E+005  L/kg (Kow method)
      Log Koc:  5.033       (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 = 2.118 (BCF = 131.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4494 days (HL = 2.815 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.003 (BCF = 1007)
   Log BAF Arnot-Gobas method (upper trophic) = 3.098 (BAF = 1253)
       log Kow used: 5.80 (estimated)

 Volatilization from Water:
    Henry LC:  0.0235 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.465  hours
    Half-Life from Model Lake :      133.5  hours   (5.561 days)

 Removal In Wastewater Treatment:
    Total removal:              94.57  percent
    Total biodegradation:        0.53  percent
    Total sludge adsorption:    77.48  percent
    Total to Air:               16.56  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.83            7.73         1000       
   Water     19.4            360          1000       
   Soil      73.7            720          1000       
   Sediment  5.06            3.24e+003    0          
     Persistence Time: 321 hr