CAS Number: 5296-64-0
SMILES : c1ccccc1SCC=C
CHEM   : Allyl phenyl sulfide
MOL FOR: C9 H10 S1 
MOL WT : 150.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  3.44
    Log Kow (Exper. database match) =  3.51
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  225.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -2.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0976  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  13  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  76.12
       log Kow used: 3.51 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  25.252 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.06E-004  atm-m3/mole  (2.09E+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:  2.535E-004 atm-m3/mole  (2.568E+001 Pa-m3/mole)
      VP:   0.0976 mm Hg (source: MPBPVP)
      WS:   76.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (exp database)
  Log Kaw used:  -2.075  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.585
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8041
   Biowin2 (Non-Linear Model)     :   0.9355
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8892  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6359  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3743
   Biowin6 (MITI Non-Linear Model):   0.3327
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3825
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7286
     BioHC Half-Life (days)     :   5.3532
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  12.2 Pa (0.0915 mm Hg)
  Log Koa (Koawin est  ): 5.585
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-007 
       Octanol/air (Koa) model:  9.44E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.88E-006 
       Mackay model           :  1.97E-005 
       Octanol/air (Koa) model:  7.55E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  46.1559 E-12 cm3/molecule-sec
      Half-Life =     0.232 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.781 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.43E-005 (Junge-Pankow, Mackay avg)
      7.55E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1482  L/kg (MCI method)
      Log Koc:  3.171       (MCI method)
      Koc    :  1112  L/kg (Kow method)
      Log Koc:  3.046       (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 = 1.983 (BCF = 96.14 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2219 days (HL = 0.6 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.161 (BCF = 145)
   Log BAF Arnot-Gobas method (upper trophic) = 2.161 (BAF = 145)
       log Kow used: 3.51 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000206 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.734  hours
    Half-Life from Model Lake :      154.4  hours   (6.434 days)
 
 Removal In Wastewater Treatment:
    Total removal:              20.63  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    12.53  percent
    Total to Air:                7.93  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.621           4.48         1000       
   Water     19.4            360          1000       
   Soil      79              720          1000       
   Sediment  0.971           3.24e+003    0          
     Persistence Time: 425 hr