CAS Number: 29886-96-2
SMILES : CC(C)c1ccc(cc1)CC(C)C(OC)OC
CHEM   : 1-(3,3-dimethoxy-2-methylpropyl)-4-propan-2-ylbenzene
MOL FOR: C15 H24 O2 
MOL WT : 236.36
------------------------------ 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) =  4.30
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  285.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0032  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.427  (Modified Grain method)
    Subcooled liquid VP: 0.00424 mm Hg (25 deg C, Mod-Grain method)
                       : 0.566 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.037
       log Kow used: 4.30 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.798 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.86E-005  atm-m3/mole  (1.88E+000 Pa-m3/mole)
   Group Method:   6.29E-006  atm-m3/mole  (6.37E-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:  1.649E-004 atm-m3/mole  (1.670E+001 Pa-m3/mole)
      VP:   0.0032 mm Hg (source: MPBPVP)
      WS:   6.04 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.30  (KowWin est)
  Log Kaw used:  -3.119  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.419
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0496
   Biowin2 (Non-Linear Model)     :   0.0023
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5098  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3502  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1199
   Biowin6 (MITI Non-Linear Model):   0.0181
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9929
 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):  0.565 Pa (0.00424 mm Hg)
  Log Koa (Koawin est  ): 7.419
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.31E-006 
       Octanol/air (Koa) model:  6.44E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000192 
       Mackay model           :  0.000424 
       Octanol/air (Koa) model:  0.000515 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.7488 E-12 cm3/molecule-sec
      Half-Life =     0.470 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.642 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000308 (Junge-Pankow, Mackay avg)
      0.000515 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1170  L/kg (MCI method)
      Log Koc:  3.068       (MCI method)
      Koc    :  1325  L/kg (Kow method)
      Log Koc:  3.122       (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 = 2.501 (BCF = 316.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1680 days (HL = 1.472 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.677 (BCF = 475.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.678 (BAF = 476.3)
       log Kow used: 4.30 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.86E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      49.96  hours   (2.082 days)
    Half-Life from Model Lake :        674  hours   (28.08 days)
 
 Removal In Wastewater Treatment:
    Total removal:              45.66  percent
    Total biodegradation:        0.44  percent
    Total sludge adsorption:    44.68  percent
    Total to Air:                0.54  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.495           11.3         1000       
   Water     17              900          1000       
   Soil      81.4            1.8e+003     1000       
   Sediment  1.11            8.1e+003     0          
     Persistence Time: 1.03e+003 hr