CAS Num: 008011-48-1
SMILES : Oc1c(OC)cccc1
CHEM   : Tar, pine
MOL FOR: C7 H8 O2 
MOL WT : 124.14
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  1.34
    Log Kow (Exper. database match) =  1.32
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  211.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  25.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.113  (Modified Grain method)
    VP (Pa, 25 deg C) :  15.1  (Modified Grain method)
    MP  (exp database):  32 deg C
    BP  (exp database):  205 deg C
    VP  (exp database):  1.03E-01 mm Hg (1.37E+001 Pa) at 25 deg C
    Subcooled liquid VP: 0.121 mm Hg (25 deg C, exp database VP )
                       : 16.1 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7226
       log Kow used: 1.32 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.87e+004 mg/L (15 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28462 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.32E-008  atm-m3/mole  (3.36E-003 Pa-m3/mole)
   Group Method:   5.35E-007  atm-m3/mole  (5.42E-002 Pa-m3/mole)
   Exper Database: 1.20E-06  atm-m3/mole  (1.22E-001 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:  2.554E-006 atm-m3/mole  (2.588E-001 Pa-m3/mole)
      VP:   0.113 mm Hg (source: MPBPVP)
      WS:   7.23E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.32  (exp database)
  Log Kaw used:  -4.309  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.629
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9362
   Biowin2 (Non-Linear Model)     :   0.9879
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9231  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7854  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6356
   Biowin6 (MITI Non-Linear Model):   0.7778
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6335
 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):  16.1 Pa (0.121 mm Hg)
  Log Koa (Koawin est  ): 5.629
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.86E-007 
       Octanol/air (Koa) model:  1.04E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.72E-006 
       Mackay model           :  1.49E-005 
       Octanol/air (Koa) model:  8.36E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.7980 E-12 cm3/molecule-sec
      Half-Life =     0.359 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.307 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.08E-005 (Junge-Pankow, Mackay avg)
      8.36E-006 (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    :  75.51  L/kg (Kow method)
      Log Koc:  1.878       (Kow method)
       Experimental Log Koc:  1.56  (database)

 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 = 0.538 (BCF = 3.451 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1090 days (HL = 0.07781 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.398 (BCF = 2.503)
   Log BAF Arnot-Gobas method (upper trophic) = 0.398 (BAF = 2.503)
       log Kow used: 1.32 (expkow database)

 Volatilization from Water:
    Henry LC:  1.2E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      544.7  hours   (22.7 days)
    Half-Life from Model Lake :       6036  hours   (251.5 days)

 Removal In Wastewater Treatment:
    Total removal:               2.00  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.84  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.811           8.62         1000       
   Water     27.3            360          1000       
   Soil      71.7            720          1000       
   Sediment  0.183           3.24e+003    0          
     Persistence Time: 450 hr