CAS Number: 56423-47-3
SMILES : Cc1c(cc(cc1)C(=C)C)O
CHEM   : 2-methyl-5-(1-methylethenyl)phenol
MOL FOR: C10 H12 O1 
MOL WT : 148.21
------------------------------ 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) =  3.51
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  241.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  45.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0115  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.53  (Modified Grain method)
    Subcooled liquid VP: 0.0178 mm Hg (25 deg C, Mod-Grain method)
                       : 2.38 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  295.7
       log Kow used: 3.51 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  921.31 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.97E-007  atm-m3/mole  (5.04E-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:  7.584E-006 atm-m3/mole  (7.685E-001 Pa-m3/mole)
      VP:   0.0115 mm Hg (source: MPBPVP)
      WS:   296 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.51  (KowWin est)
  Log Kaw used:  -4.692  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.202
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8475
   Biowin2 (Non-Linear Model)     :   0.9161
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8532  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6051  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4144
   Biowin6 (MITI Non-Linear Model):   0.3728
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0321
 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):  2.37 Pa (0.0178 mm Hg)
  Log Koa (Koawin est  ): 8.202
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.26E-006 
       Octanol/air (Koa) model:  3.91E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.57E-005 
       Mackay model           :  0.000101 
       Octanol/air (Koa) model:  0.00312 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.2216 E-12 cm3/molecule-sec
      Half-Life =     0.119 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.423 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      7.34E-005 (Junge-Pankow, Mackay avg)
      0.00312 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1467  L/kg (MCI method)
      Log Koc:  3.167       (MCI method)
      Koc    :  1080  L/kg (Kow method)
      Log Koc:  3.033       (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 = 1.983 (BCF = 96.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4062 days (HL = 0.3925 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.046 (BCF = 111.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.046 (BAF = 111.2)
       log Kow used: 3.51 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.97E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1435  hours   (59.81 days)
    Half-Life from Model Lake : 1.576E+004  hours   (656.7 days)
 
 Removal In Wastewater Treatment:
    Total removal:              13.28  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    13.07  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.119           1.18         1000       
   Water     24.5            360          1000       
   Soil      74.2            720          1000       
   Sediment  1.21            3.24e+003    0          
     Persistence Time: 467 hr