CAS Num: 056011-02-0
SMILES : O(CCc(cccc1)c1)CCC(C)C
CHEM   : Benzene, [2-(3-methylbutoxy)ethyl]-
MOL FOR: C13 H20 O1 
MOL WT : 192.30
------------------------------ 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) =  4.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  255.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0205  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.74  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  13.49
       log Kow used: 4.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18.595 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.87E-004  atm-m3/mole  (2.91E+001 Pa-m3/mole)
   Group Method:   6.43E-005  atm-m3/mole  (6.52E+000 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:  3.845E-004 atm-m3/mole  (3.896E+001 Pa-m3/mole)
      VP:   0.0205 mm Hg (source: MPBPVP)
      WS:   13.5 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.16  (KowWin est)
  Log Kaw used:  -1.931  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.091
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4914
   Biowin2 (Non-Linear Model)     :   0.3154
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7127  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4969  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2253
   Biowin6 (MITI Non-Linear Model):   0.1932
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0489
 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):  2.71 Pa (0.0203 mm Hg)
  Log Koa (Koawin est  ): 6.091
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.11E-006 
       Octanol/air (Koa) model:  3.03E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4E-005 
       Mackay model           :  8.87E-005 
       Octanol/air (Koa) model:  2.42E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.8713 E-12 cm3/molecule-sec
      Half-Life =     0.370 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.446 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.43E-005 (Junge-Pankow, Mackay avg)
      2.42E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1848  L/kg (MCI method)
      Log Koc:  3.267       (MCI method)
      Koc    :  1366  L/kg (Kow method)
      Log Koc:  3.136       (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 = 2.410 (BCF = 256.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2618 days (HL = 0.5472 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.303 (BCF = 201)
   Log BAF Arnot-Gobas method (upper trophic) = 2.303 (BAF = 201.1)
       log Kow used: 4.16 (estimated)

 Volatilization from Water:
    Henry LC:  6.43E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      14.04  hours
    Half-Life from Model Lake :      269.5  hours   (11.23 days)

 Removal In Wastewater Treatment:
    Total removal:              39.44  percent
    Total biodegradation:        0.37  percent
    Total sludge adsorption:    37.05  percent
    Total to Air:                2.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.467           8.89         1000       
   Water     14.7            900          1000       
   Soil      83.3            1.8e+003     1000       
   Sediment  1.53            8.1e+003     0          
     Persistence Time: 1.01e+003 hr