CAS Number: 1758-88-9
SMILES : c(ccc(c1CC)C)(c1)C
CHEM   : Benzene, 2-ethyl-1,4-dimethyl-
MOL FOR: C10 H14 
MOL WT : 134.22
------------------------------ 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) =  4.13
    Log Kow (Exper. database match) =  4.43
       Exper. Ref:  SHERBLOM,PM & EGANHOUSE,RP (1988)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  190.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.69  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  91.9  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -53.7 deg C
    BP  (exp database):  186.9 deg C
    VP  (exp database):  9.39E-01 mm Hg (1.25E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.57
       log Kow used: 4.43 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.732 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.61E-003  atm-m3/mole  (9.74E+002 Pa-m3/mole)
   Group Method:   1.02E-002  atm-m3/mole  (1.03E+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:  8.364E-003 atm-m3/mole  (8.474E+002 Pa-m3/mole)
      VP:   0.69 mm Hg (source: MPBPVP)
      WS:   14.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (exp database)
  Log Kaw used:  -0.406  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.836
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8477
   Biowin2 (Non-Linear Model)     :   0.9445
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6780  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4485  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3651
   Biowin6 (MITI Non-Linear Model):   0.3824
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3951
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6861
     BioHC Half-Life (days)     :   4.8542
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  125 Pa (0.939 mm Hg)
  Log Koa (Koawin est  ): 4.836
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.4E-008 
       Octanol/air (Koa) model:  1.68E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.65E-007 
       Mackay model           :  1.92E-006 
       Octanol/air (Koa) model:  1.35E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.8786 E-12 cm3/molecule-sec
      Half-Life =     0.634 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.604 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.39E-006 (Junge-Pankow, Mackay avg)
      1.35E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1172  L/kg (MCI method)
      Log Koc:  3.069       (MCI method)
      Koc    :  6989  L/kg (Kow method)
      Log Koc:  3.844       (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 = 2.590 (BCF = 389 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1201 days (HL = 1.319 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.665 (BCF = 461.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.666 (BAF = 463.1)
       log Kow used: 4.43 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.0102 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.249  hours
    Half-Life from Model Lake :      110.8  hours   (4.615 days)
 
 Removal In Wastewater Treatment:
    Total removal:              86.34  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    36.90  percent
    Total to Air:               49.23  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.09            15.2         1000       
   Water     28.5            900          1000       
   Soil      64.5            1.8e+003     1000       
   Sediment  1.86            8.1e+003     0          
     Persistence Time: 279 hr