CAS Num: 014374-92-6
SMILES : c(ccc(c1C=CC)C)(c1)C(C)C
CHEM   : Benzene, 1-methyl-4-(1-methylethyl)-2-(1-propenyl)-
MOL FOR: C13 H18 
MOL WT : 174.29
------------------------------ 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) =  5.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  242.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0407  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.43  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.71
       log Kow used: 5.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0904 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.29E-003  atm-m3/mole  (9.42E+002 Pa-m3/mole)
   Group Method:   6.74E-003  atm-m3/mole  (6.83E+002 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:  5.458E-003 atm-m3/mole  (5.531E+002 Pa-m3/mole)
      VP:   0.0407 mm Hg (source: MPBPVP)
      WS:   1.71 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.31  (KowWin est)
  Log Kaw used:  -0.420  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.730
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7739
   Biowin2 (Non-Linear Model)     :   0.8440
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6643  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4592  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2636
   Biowin6 (MITI Non-Linear Model):   0.1884
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2891
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8699
     BioHC Half-Life (days)     :   7.4110

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.23 Pa (0.0392 mm Hg)
  Log Koa (Koawin est  ): 5.730
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.74E-007 
       Octanol/air (Koa) model:  1.32E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.07E-005 
       Mackay model           :  4.59E-005 
       Octanol/air (Koa) model:  1.05E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.7055 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  72.3055 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.984 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.775 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      3.33E-005 (Junge-Pankow, Mackay avg)
      1.05E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6372  L/kg (MCI method)
      Log Koc:  3.804       (MCI method)
      Koc    :  4.056E+004  L/kg (Kow method)
      Log Koc:  4.608       (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 = 3.171 (BCF = 1483 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7587 days (HL = 5.737 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.297 (BCF = 1981)
   Log BAF Arnot-Gobas method (upper trophic) = 3.410 (BAF = 2571)
       log Kow used: 5.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.00674 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.462  hours
    Half-Life from Model Lake :      126.6  hours   (5.277 days)

 Removal In Wastewater Treatment:
    Total removal:              90.24  percent
    Total biodegradation:        0.54  percent
    Total sludge adsorption:    74.14  percent
    Total to Air:               15.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.252           2            1000       
   Water     11.4            900          1000       
   Soil      84.1            1.8e+003     1000       
   Sediment  4.18            8.1e+003     0          
     Persistence Time: 700 hr