CAS Number: 18454-88-1
SMILES : CCC1=CC2=C(CC=C2C)C(=CC1)C
CHEM   : 
MOL FOR: C14 H18 
MOL WT : 186.30
------------------------------ 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) =  6.07
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  267.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  56.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0096  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.28  (Modified Grain method)
    Subcooled liquid VP: 0.0187 mm Hg (25 deg C, Mod-Grain method)
                       : 2.49 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.09737
       log Kow used: 6.07 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7549 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.22E-001  atm-m3/mole  (4.28E+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:  2.417E-002 atm-m3/mole  (2.449E+003 Pa-m3/mole)
      VP:   0.0096 mm Hg (source: MPBPVP)
      WS:   0.0974 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.07  (KowWin est)
  Log Kaw used:  1.237  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.833
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6589
   Biowin2 (Non-Linear Model)     :   0.5898
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7875  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5790  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2666
   Biowin6 (MITI Non-Linear Model):   0.1411
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1628
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0048
     BioHC Half-Life (days)     :  10.1119
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.49 Pa (0.0187 mm Hg)
  Log Koa (Koawin est  ): 4.833
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.2E-006 
       Octanol/air (Koa) model:  1.67E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.35E-005 
       Mackay model           :  9.62E-005 
       Octanol/air (Koa) model:  1.34E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 325.6607 E-12 cm3/molecule-sec
      Half-Life =     0.033 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.648 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   237.233749 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      6.956 Min
   Fraction sorbed to airborne particulates (phi):
      6.99E-005 (Junge-Pankow, Mackay avg)
      1.34E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.267E+004  L/kg (MCI method)
      Log Koc:  4.103       (MCI method)
      Koc    :  1.852E+005  L/kg (Kow method)
      Log Koc:  5.268       (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 = 3.673 (BCF = 4705 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.7473 days (HL = 55.88 days)
   Log BCF Arnot-Gobas method (upper trophic) = 4.000 (BCF = 9998)
   Log BAF Arnot-Gobas method (upper trophic) = 5.636 (BAF = 4.329e+005)
       log Kow used: 6.07 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.422 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.395  hours
    Half-Life from Model Lake :      129.7  hours   (5.403 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.98  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    63.10  percent
    Total to Air:               35.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0818          0.101        1000       
   Water     46.1            360          1000       
   Soil      37.5            720          1000       
   Sediment  16.3            3.24e+003    0          
     Persistence Time: 136 hr