CAS Number: 33933-73-2
SMILES : s(c(c1)C)c(c1)CCC
CHEM   : THIOPHENE, 2-METHYL-5-PROPYL-
MOL FOR: C8 H12 S1 
MOL WT : 140.24
------------------------------ 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) =  3.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.71  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.349  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  46.5  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  39.8
       log Kow used: 3.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  45.04 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Thiophenes
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.28E-003  atm-m3/mole  (6.37E+002 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:  1.618E-003 atm-m3/mole  (1.640E+002 Pa-m3/mole)
      VP:   0.349 mm Hg (source: MPBPVP)
      WS:   39.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.89  (KowWin est)
  Log Kaw used:  -0.590  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.480
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7901
   Biowin2 (Non-Linear Model)     :   0.8977
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7395  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5083  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3469
   Biowin6 (MITI Non-Linear Model):   0.3427
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0981
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2415
     BioHC Half-Life (days)     :  17.4392
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  42.5 Pa (0.319 mm Hg)
  Log Koa (Koawin est  ): 4.480
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.05E-008 
       Octanol/air (Koa) model:  7.41E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.55E-006 
       Mackay model           :  5.64E-006 
       Octanol/air (Koa) model:  5.93E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.9114 E-12 cm3/molecule-sec
      Half-Life =     0.325 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.900 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.1E-006 (Junge-Pankow, Mackay avg)
      5.93E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  715.8  L/kg (MCI method)
      Log Koc:  2.855       (MCI method)
      Koc    :  2375  L/kg (Kow method)
      Log Koc:  3.376       (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 = 2.234 (BCF = 171.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3237 days (HL = 0.4745 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.208 (BCF = 161.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.208 (BAF = 161.4)
       log Kow used: 3.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00628 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.319  hours
    Half-Life from Model Lake :      113.7  hours   (4.737 days)
 
 Removal In Wastewater Treatment:
    Total removal:              75.64  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:    17.72  percent
    Total to Air:               57.79  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.95            7.8          1000       
   Water     29.7            900          1000       
   Soil      66.2            1.8e+003     1000       
   Sediment  1.17            8.1e+003     0          
     Persistence Time: 271 hr