CAS Number: 285977-85-7
SMILES : Cc1cc2c(CC(C2)(C)CO)cc1
CHEM   : (2,5-dimethyl-1,3-dihydroinden-2-yl)methanol
MOL FOR: C12 H16 O1 
MOL WT : 176.26
------------------------------ 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) =  3.42
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  287.14  (Adapted Stein & Brown method)
    Melting Pt (deg C):  71.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000112  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.015  (Modified Grain method)
    Subcooled liquid VP: 0.000307 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0409 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  223
       log Kow used: 3.42 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  270.35 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.73E-007  atm-m3/mole  (2.77E-002 Pa-m3/mole)
   Group Method:   3.54E-008  atm-m3/mole  (3.58E-003 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:  1.165E-007 atm-m3/mole  (1.180E-002 Pa-m3/mole)
      VP:   0.000112 mm Hg (source: MPBPVP)
      WS:   223 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.42  (KowWin est)
  Log Kaw used:  -4.952  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.372
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8024
   Biowin2 (Non-Linear Model)     :   0.8364
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5330  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3639  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4211
   Biowin6 (MITI Non-Linear Model):   0.4274
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3206
 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):  0.0409 Pa (0.000307 mm Hg)
  Log Koa (Koawin est  ): 8.372
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.33E-005 
       Octanol/air (Koa) model:  5.78E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00264 
       Mackay model           :  0.00583 
       Octanol/air (Koa) model:  0.0046 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.3445 E-12 cm3/molecule-sec
      Half-Life =     0.501 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.013 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00423 (Junge-Pankow, Mackay avg)
      0.0046 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  299.5  L/kg (MCI method)
      Log Koc:  2.476       (MCI method)
      Koc    :  254.3  L/kg (Kow method)
      Log Koc:  2.405       (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 = 1.668 (BCF = 46.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8402 days (HL = 0.1445 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.699 (BCF = 49.95)
   Log BAF Arnot-Gobas method (upper trophic) = 1.699 (BAF = 49.95)
       log Kow used: 3.42 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.54E-008 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.196E+004  hours   (915 days)
    Half-Life from Model Lake : 2.397E+005  hours   (9986 days)
 
 Removal In Wastewater Treatment:
    Total removal:              11.34  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    11.17  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.174           12           1000       
   Water     15.9            900          1000       
   Soil      83.7            1.8e+003     1000       
   Sediment  0.268           8.1e+003     0          
     Persistence Time: 1.39e+003 hr