CAS Number: 3454-07-7
SMILES : c(ccc(c1)C=C)(c1)CC
CHEM   : p-Ethylstyrene
MOL FOR: C10 H12 
MOL WT : 132.21
------------------------------ 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) =  3.93
    Log Kow (Exper. database match) =  4.19
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  189.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.529  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  70.5  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -49.7 deg C
    BP  (exp database):  192.3 deg C
    VP  (exp database):  8.69E-01 mm Hg (1.16E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  23.8
       log Kow used: 4.19 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.593 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.05E-003  atm-m3/mole  (4.10E+002 Pa-m3/mole)
   Group Method:   4.66E-003  atm-m3/mole  (4.72E+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:  3.867E-003 atm-m3/mole  (3.918E+002 Pa-m3/mole)
      VP:   0.529 mm Hg (source: MPBPVP)
      WS:   23.8 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.19  (exp database)
  Log Kaw used:  -0.781  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.971
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7393
   Biowin2 (Non-Linear Model)     :   0.8466
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8322  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5885  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3150
   Biowin6 (MITI Non-Linear Model):   0.3036
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0324
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.6344
     BioHC Half-Life (days)     :   4.3092
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  116 Pa (0.869 mm Hg)
  Log Koa (Koawin est  ): 4.971
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.59E-008 
       Octanol/air (Koa) model:  2.3E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.35E-007 
       Mackay model           :  2.07E-006 
       Octanol/air (Koa) model:  1.84E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.9564 E-12 cm3/molecule-sec
      Half-Life =     0.335 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.016 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec
      Half-Life =     0.546 Days (at 7E11 mol/cm3)
      Half-Life =     13.097 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.5E-006 (Junge-Pankow, Mackay avg)
      1.84E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1365  L/kg (MCI method)
      Log Koc:  3.135       (MCI method)
      Koc    :  4326  L/kg (Kow method)
      Log Koc:  3.636       (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 = 2.432 (BCF = 270.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4327 days (HL = 2.708 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.646 (BCF = 442.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.647 (BAF = 443.2)
       log Kow used: 4.19 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00466 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.318  hours
    Half-Life from Model Lake :      110.8  hours   (4.616 days)
 
 Removal In Wastewater Treatment:
    Total removal:              74.30  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    29.67  percent
    Total to Air:               44.42  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.42            4.98         1000       
   Water     22.1            360          1000       
   Soil      75.5            720          1000       
   Sediment  1.03            3.24e+003    0          
     Persistence Time: 286 hr