CAS Number: 489-85-0
SMILES : CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C
CHEM   : 
MOL FOR: C15 H16 
MOL WT : 196.29
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  5.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  279.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  58.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00489  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.652  (Modified Grain method)
    Subcooled liquid VP: 0.00992 mm Hg (25 deg C, Mod-Grain method)
                       : 1.32 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.1157
       log Kow used: 5.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.2269 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.91E-001  atm-m3/mole  (1.93E+004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.092E-002 atm-m3/mole  (1.106E+003 Pa-m3/mole)
      VP:   0.00489 mm Hg (source: MPBPVP)
      WS:   0.116 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.92  (KowWin est)
  Log Kaw used:  0.893  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.027
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6541
   Biowin2 (Non-Linear Model)     :   0.5551
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7654  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5645  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1727
   Biowin6 (MITI Non-Linear Model):   0.0530
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0827
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7343
     BioHC Half-Life (days)     :   5.4243
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.32 Pa (0.00992 mm Hg)
  Log Koa (Koawin est  ): 5.027
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27E-006 
       Octanol/air (Koa) model:  2.61E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.19E-005 
       Mackay model           :  0.000181 
       Octanol/air (Koa) model:  2.09E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 436.4368 E-12 cm3/molecule-sec
      Half-Life =     0.025 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.645 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    15.795000 E-17 cm3/molecule-sec
      Half-Life =     0.073 Days (at 7E11 mol/cm3)
      Half-Life =      1.741 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.000132 (Junge-Pankow, Mackay avg)
      2.09E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.981E+004  L/kg (MCI method)
      Log Koc:  4.297       (MCI method)
      Koc    :  1.373E+005  L/kg (Kow method)
      Log Koc:  5.138       (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 = 3.576 (BCF = 3768 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.8554 days (HL = 71.68 days)
   Log BCF Arnot-Gobas method (upper trophic) = 4.059 (BCF = 1.145e+004)
   Log BAF Arnot-Gobas method (upper trophic) = 5.647 (BAF = 4.433e+005)
       log Kow used: 5.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.191 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.434  hours
    Half-Life from Model Lake :      133.1  hours   (5.547 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.36  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    64.67  percent
    Total to Air:               33.40  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.193           0.44         1000       
   Water     27.5            360          1000       
   Soil      57.1            720          1000       
   Sediment  15.2            3.24e+003    0          
     Persistence Time: 225 hr