CAS Num: 000150-60-7
SMILES : S(SCc(cccc1)c1)Cc(cccc2)c2
CHEM   : Disulfide, bis(phenylmethyl)
MOL FOR: C14 H14 S2 
MOL WT : 246.39
------------------------------ 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) =  5.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  360.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  96.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.72E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00363  (Modified Grain method)
    MP  (exp database):  71.5 deg C
    Subcooled liquid VP: 7.48E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00997 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.7537
       log Kow used: 5.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.10118 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.91E-006  atm-m3/mole  (8.01E-001 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:  1.170E-005 atm-m3/mole  (1.185E+000 Pa-m3/mole)
      VP:   2.72E-005 mm Hg (source: MPBPVP)
      WS:   0.754 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.29  (KowWin est)
  Log Kaw used:  -3.490  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.780
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8864
   Biowin2 (Non-Linear Model)     :   0.9572
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6987  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5020  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0501
   Biowin6 (MITI Non-Linear Model):   0.0257
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3035
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2293
     BioHC Half-Life (days)     :  16.9557

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00997 Pa (7.48E-005 mm Hg)
  Log Koa (Koawin est  ): 8.780
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000301 
       Octanol/air (Koa) model:  0.000148 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0107 
       Mackay model           :  0.0235 
       Octanol/air (Koa) model:  0.0117 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 249.2605 E-12 cm3/molecule-sec
      Half-Life =     0.043 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.515 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0171 (Junge-Pankow, Mackay avg)
      0.0117 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.545E+004  L/kg (MCI method)
      Log Koc:  4.744       (MCI method)
      Koc    :  3.898E+004  L/kg (Kow method)
      Log Koc:  4.591       (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 = 1.816 (BCF = 65.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6145 days (HL = 0.243 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.999 (BCF = 99.85)
   Log BAF Arnot-Gobas method (upper trophic) = 2.000 (BAF = 99.91)
       log Kow used: 5.29 (estimated)

 Volatilization from Water:
    Henry LC:  7.91E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      117.8  hours   (4.908 days)
    Half-Life from Model Lake :       1417  hours   (59.02 days)

 Removal In Wastewater Treatment:
    Total removal:              85.00  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    84.23  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0339          1.03         1000       
   Water     10.4            900          1000       
   Soil      58.2            1.8e+003     1000       
   Sediment  31.4            8.1e+003     0          
     Persistence Time: 1.49e+003 hr