CAS Number: 65383-57-5
SMILES : O(c1cc(O)ccc1OC)CC
CHEM   : 
MOL FOR: C9 H12 O3 
MOL WT : 168.19
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  1.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  266.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  65.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00188  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.25  (Modified Grain method)
    Subcooled liquid VP: 0.0045 mm Hg (25 deg C, Mod-Grain method)
                       : 0.6 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  9315
       log Kow used: 1.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5269.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.60E-009  atm-m3/mole  (2.64E-004 Pa-m3/mole)
   Group Method:   5.87E-007  atm-m3/mole  (5.95E-002 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:  4.466E-008 atm-m3/mole  (4.526E-003 Pa-m3/mole)
      VP:   0.00188 mm Hg (source: MPBPVP)
      WS:   9.32E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.65  (KowWin est)
  Log Kaw used:  -6.973  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.623
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0471
   Biowin2 (Non-Linear Model)     :   0.9976
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7676  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7990  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7413
   Biowin6 (MITI Non-Linear Model):   0.8365
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8534
 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):  0.6 Pa (0.0045 mm Hg)
  Log Koa (Koawin est  ): 8.623
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5E-006 
       Octanol/air (Koa) model:  0.000103 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000181 
       Mackay model           :  0.0004 
       Octanol/air (Koa) model:  0.00818 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 207.1430 E-12 cm3/molecule-sec
      Half-Life =     0.052 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.620 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.00029 (Junge-Pankow, Mackay avg)
      0.00818 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  143  L/kg (MCI method)
      Log Koc:  2.155       (MCI method)
      Koc    :  130.8  L/kg (Kow method)
      Log Koc:  2.116       (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 = 0.755 (BCF = 5.688 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1873 days (HL = 0.06497 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.597 (BCF = 3.955)
   Log BAF Arnot-Gobas method (upper trophic) = 0.597 (BAF = 3.955)
       log Kow used: 1.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.87E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       1295  hours   (53.95 days)
    Half-Life from Model Lake : 1.423E+004  hours   (593.1 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.06  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.132           1.24         1000       
   Water     27.3            360          1000       
   Soil      72.4            720          1000       
   Sediment  0.203           3.24e+003    0          
     Persistence Time: 445 hr