CAS Number: 90731-56-9
SMILES : Cc1scnc1CCOC=O
CHEM   : 2-(5-methyl-1,3-thiazol-4-yl)ethyl formate
MOL FOR: C7 H9 N1 O2 S1 
MOL WT : 171.22
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  1.57
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  253.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0103  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.37  (Modified Grain method)
    Subcooled liquid VP: 0.0227 mm Hg (25 deg C, Mod-Grain method)
                       : 3.03 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2758
       log Kow used: 1.57 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3159.6 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.02E-008  atm-m3/mole  (2.05E-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:  8.414E-007 atm-m3/mole  (8.525E-002 Pa-m3/mole)
      VP:   0.0103 mm Hg (source: MPBPVP)
      WS:   2.76E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.57  (KowWin est)
  Log Kaw used:  -6.083  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.653
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9496
   Biowin2 (Non-Linear Model)     :   0.9970
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6926  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5899
   Biowin6 (MITI Non-Linear Model):   0.6816
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4449
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.03 Pa (0.0227 mm Hg)
  Log Koa (Koawin est  ): 7.653
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.91E-007 
       Octanol/air (Koa) model:  1.1E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.58E-005 
       Mackay model           :  7.93E-005 
       Octanol/air (Koa) model:  0.000882 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.2138 E-12 cm3/molecule-sec
      Half-Life =     2.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.618 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.75E-005 (Junge-Pankow, Mackay avg)
      0.000882 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  122.4  L/kg (MCI method)
      Log Koc:  2.088       (MCI method)
      Koc    :  53.45  L/kg (Kow method)
      Log Koc:  1.728       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.828E+001  L/mol-sec
  Kb Half-Life at pH 8:      10.532  hours  
  Kb Half-Life at pH 7:       4.388  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.704 (BCF = 5.061 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.4713 days (HL = 0.003379 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.194 (BCF = 1.564)
   Log BAF Arnot-Gobas method (upper trophic) = 0.194 (BAF = 1.564)
       log Kow used: 1.57 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.02E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.793E+004  hours   (1580 days)
    Half-Life from Model Lake : 4.139E+005  hours   (1.724E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.00  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.90  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       0.321           49.2         1000       
   Water     19.7            360          1000       
   Soil      79.9            720          1000       
   Sediment  0.132           3.24e+003    0          
     Persistence Time: 703 hr