CAS Number: 59020-78-9
SMILES : Cc1csc(n1)C(C=C)O
CHEM   : 
MOL FOR: C7 H9 N1 O1 S1 
MOL WT : 155.22
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  1.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  259.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000789  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.105  (Modified Grain method)
    Subcooled liquid VP: 0.00171 mm Hg (25 deg C, Mod-Grain method)
                       : 0.228 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.498e+004
       log Kow used: 1.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  36804 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Benzyl Alcohols
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.24E-010  atm-m3/mole  (2.27E-005 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:  1.076E-008 atm-m3/mole  (1.090E-003 Pa-m3/mole)
      VP:   0.000789 mm Hg (source: MPBPVP)
      WS:   1.5E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.40  (KowWin est)
  Log Kaw used:  -8.038  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.438
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8871
   Biowin2 (Non-Linear Model)     :   0.9241
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9413  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6847  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4700
   Biowin6 (MITI Non-Linear Model):   0.4562
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3142
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.228 Pa (0.00171 mm Hg)
  Log Koa (Koawin est  ): 9.438
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.32E-005 
       Octanol/air (Koa) model:  0.000673 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000475 
       Mackay model           :  0.00105 
       Octanol/air (Koa) model:  0.0511 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.7641 E-12 cm3/molecule-sec
      Half-Life =     0.283 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.399 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):
      0.000763 (Junge-Pankow, Mackay avg)
      0.0511 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  56.36  L/kg (MCI method)
      Log Koc:  1.751       (MCI method)
      Koc    :  19.41  L/kg (Kow method)
      Log Koc:  1.288       (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 = 0.332 (BCF = 2.147 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8178 days (HL = 0.01521 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.246 (BCF = 1.764)
   Log BAF Arnot-Gobas method (upper trophic) = 0.246 (BAF = 1.764)
       log Kow used: 1.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.24E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.256E+006  hours   (1.357E+005 days)
    Half-Life from Model Lake : 3.552E+007  hours   (1.48E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.95  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00419         5.24         1000       
   Water     21.4            360          1000       
   Soil      78.5            720          1000       
   Sediment  0.0889          3.24e+003    0          
     Persistence Time: 720 hr