CAS Number: 2810-04-0
SMILES : s1cccc1C(=O)OCC
CHEM   : Thiophene, 2-ethyl carboxylate
MOL FOR: C7 H8 O2 S1 
MOL WT : 156.20
------------------------------ 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) =  2.14
    Log Kow (Exper. database match) =  2.33
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  224.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.119  (Modified Grain method)
    VP (Pa, 25 deg C) :  15.9  (Modified Grain method)
    BP  (exp database):  218 deg C
    Subcooled liquid VP: 0.135 mm Hg (25 deg C, Mod-Grain method)
                       : 18 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  729
       log Kow used: 2.33 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2906.4 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Thiophenes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.50E-005  atm-m3/mole  (2.54E+000 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:  3.355E-005 atm-m3/mole  (3.399E+000 Pa-m3/mole)
      VP:   0.119 mm Hg (source: MPBPVP)
      WS:   729 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.33  (exp database)
  Log Kaw used:  -2.991  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.321
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8474
   Biowin2 (Non-Linear Model)     :   0.9924
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9942  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8513  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6657
   Biowin6 (MITI Non-Linear Model):   0.7811
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6681
 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):  18 Pa (0.135 mm Hg)
  Log Koa (Koawin est  ): 5.321
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.67E-007 
       Octanol/air (Koa) model:  5.14E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.02E-006 
       Mackay model           :  1.33E-005 
       Octanol/air (Koa) model:  4.11E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.7424 E-12 cm3/molecule-sec
      Half-Life =     2.255 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.065 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      9.68E-006 (Junge-Pankow, Mackay avg)
      4.11E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  67.18  L/kg (MCI method)
      Log Koc:  1.827       (MCI method)
      Koc    :  140.7  L/kg (Kow method)
      Log Koc:  2.148       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.776E-002  L/mol-sec
  Kb Half-Life at pH 8:     212.462  days   
  Kb Half-Life at pH 7:       5.817  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.204 (BCF = 16.01 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2707 days (HL = 0.05362 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.008 (BCF = 10.18)
   Log BAF Arnot-Gobas method (upper trophic) = 1.008 (BAF = 10.18)
       log Kow used: 2.33 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.5E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      30.54  hours   (1.273 days)
    Half-Life from Model Lake :        438  hours   (18.25 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.02  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.57  percent
    Total to Air:                1.35  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.88            54.1         1000       
   Water     28.3            360          1000       
   Soil      67.6            720          1000       
   Sediment  0.13            3.24e+003    0          
     Persistence Time: 423 hr