CAS Number: 15181-13-2
SMILES : c(cc(cc1C(C)C)C(C)C)(c1)CC
CHEM   : Benzene, 1-ethyl-3,5-diisopropyl-
MOL FOR: C14 H22 
MOL WT : 190.33
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  5.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  244.02  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0374  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.99  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.4114
       log Kow used: 5.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.50218 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.99E-002  atm-m3/mole  (3.03E+003 Pa-m3/mole)
   Group Method:   4.66E-002  atm-m3/mole  (4.72E+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:  2.277E-002 atm-m3/mole  (2.307E+003 Pa-m3/mole)
      VP:   0.0374 mm Hg (source: MPBPVP)
      WS:   0.411 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.94  (KowWin est)
  Log Kaw used:  0.087  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.853
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8209
   Biowin2 (Non-Linear Model)     :   0.8847
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5540  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3675  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0974
   Biowin6 (MITI Non-Linear Model):   0.1080
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1326
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.4350
     BioHC Half-Life (days)     :  27.2274
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.81 Pa (0.0361 mm Hg)
  Log Koa (Koawin est  ): 5.853
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.23E-007 
       Octanol/air (Koa) model:  1.75E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.25E-005 
       Mackay model           :  4.99E-005 
       Octanol/air (Koa) model:  1.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.9213 E-12 cm3/molecule-sec
      Half-Life =     0.325 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.899 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.62E-005 (Junge-Pankow, Mackay avg)
      1.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.022E+004  L/kg (MCI method)
      Log Koc:  4.010       (MCI method)
      Koc    :  1.429E+005  L/kg (Kow method)
      Log Koc:  5.155       (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 v3.01):
   Log BCF from regression-based method = 3.588 (BCF = 3877 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6703 days (HL = 4.68 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.193 (BCF = 1558)
   Log BAF Arnot-Gobas method (upper trophic) = 3.465 (BAF = 2916)
       log Kow used: 5.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.425  hours
    Half-Life from Model Lake :      131.2  hours   (5.468 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.82  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    75.15  percent
    Total to Air:               20.20  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.79            7.8          1000       
   Water     19              900          1000       
   Soil      68.4            1.8e+003     1000       
   Sediment  10.8            8.1e+003     0          
     Persistence Time: 421 hr