CAS Number: 494-90-6
SMILES : C1C(C)Cc2c(C)coc2C1
CHEM   : Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-
MOL FOR: C10 H14 O1 
MOL WT : 150.22
------------------------------ 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) =  4.29
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  201.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  14.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0805  (Modified Grain method)
    VP (Pa, 25 deg C) :  10.7  (Modified Grain method)
    MP  (exp database):  86 deg C
    Subcooled liquid VP: 0.31 mm Hg (25 deg C, Mod-Grain method)
                       : 41.3 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  16.36
       log Kow used: 4.29 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  47.144 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.45E-003  atm-m3/mole  (7.55E+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:  9.726E-004 atm-m3/mole  (9.855E+001 Pa-m3/mole)
      VP:   0.0805 mm Hg (source: MPBPVP)
      WS:   16.4 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.29  (KowWin est)
  Log Kaw used:  -0.516  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.806
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8400
   Biowin2 (Non-Linear Model)     :   0.9313
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6426  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4254  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2361
   Biowin6 (MITI Non-Linear Model):   0.1815
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0348
 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):  41.3 Pa (0.31 mm Hg)
  Log Koa (Koawin est  ): 4.806
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.26E-008 
       Octanol/air (Koa) model:  1.57E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.62E-006 
       Mackay model           :  5.81E-006 
       Octanol/air (Koa) model:  1.26E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 163.8823 E-12 cm3/molecule-sec
      Half-Life =     0.065 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.783 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      4.21E-006 (Junge-Pankow, Mackay avg)
      1.26E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2226  L/kg (MCI method)
      Log Koc:  3.347       (MCI method)
      Koc    :  5283  L/kg (Kow method)
      Log Koc:  3.723       (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 = 2.499 (BCF = 315.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0817 days (HL = 1.207 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.609 (BCF = 406.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.610 (BAF = 407.4)
       log Kow used: 4.29 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00745 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.347  hours
    Half-Life from Model Lake :      117.5  hours   (4.894 days)
 
 Removal In Wastewater Treatment:
    Total removal:              81.72  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    32.13  percent
    Total to Air:               49.39  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.363           1.57         1000       
   Water     18.1            900          1000       
   Soil      79.2            1.8e+003     1000       
   Sediment  2.29            8.1e+003     0          
     Persistence Time: 441 hr