CAS Number: 94-58-6
SMILES : O(c(c(O1)cc(c2)CCC)c2)C1
CHEM   : 1,3-Benzodioxole, 5-propyl-
MOL FOR: C10 H12 O2 
MOL WT : 164.21
------------------------------ 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) =  3.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  247.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  43.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0554  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.38  (Modified Grain method)
    BP  (exp database):  228 deg C
    Subcooled liquid VP: 0.0816 mm Hg (25 deg C, Mod-Grain method)
                       : 10.9 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  56.87
       log Kow used: 3.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.7727 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Benzodioxoles 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.22E-005  atm-m3/mole  (1.23E+000 Pa-m3/mole)
   Group Method:   1.65E-001  atm-m3/mole  (1.68E+004 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.105E-004 atm-m3/mole  (2.133E+001 Pa-m3/mole)
      VP:   0.0554 mm Hg (source: MPBPVP)
      WS:   56.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.58  (KowWin est)
  Log Kaw used:  -3.302  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.882
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9879
   Biowin2 (Non-Linear Model)     :   0.9968
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6452  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6965  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6526
   Biowin6 (MITI Non-Linear Model):   0.7944
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6104
 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):  10.9 Pa (0.0816 mm Hg)
  Log Koa (Koawin est  ): 6.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.76E-007 
       Octanol/air (Koa) model:  1.87E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.96E-006 
       Mackay model           :  2.21E-005 
       Octanol/air (Koa) model:  0.00015 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  50.8738 E-12 cm3/molecule-sec
      Half-Life =     0.210 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.523 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.6E-005 (Junge-Pankow, Mackay avg)
      0.00015 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  207.2  L/kg (MCI method)
      Log Koc:  2.316       (MCI method)
      Koc    :  1040  L/kg (Kow method)
      Log Koc:  3.017       (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 = 2.032 (BCF = 107.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0807 days (HL = 1.204 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.352 (BCF = 225.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.353 (BAF = 225.2)
       log Kow used: 3.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.165 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.312  hours
    Half-Life from Model Lake :      121.8  hours   (5.074 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.54  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     8.15  percent
    Total to Air:               90.35  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.62            5.04         1000       
   Water     88.6            900          1000       
   Soil      3.71            1.8e+003     1000       
   Sediment  1.07            8.1e+003     0          
     Persistence Time: 88.2 hr