CAS Number: 18368-95-1
SMILES : CC1=CC=C(CC1)C(=C)C
CHEM   : 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
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) =  4.74
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  174.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -29.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.68  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  224  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.29
       log Kow used: 4.74 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  59.012 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.62E-001  atm-m3/mole  (2.65E+004 Pa-m3/mole)
   Group Method:   5.60E-003  atm-m3/mole  (5.68E+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:  1.296E-001 atm-m3/mole  (1.313E+004 Pa-m3/mole)
      VP:   1.68 mm Hg (source: MPBPVP)
      WS:   2.29 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.74  (KowWin est)
  Log Kaw used:  1.030  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.710
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6836
   Biowin2 (Non-Linear Model)     :   0.7508
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9026  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6541  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3779
   Biowin6 (MITI Non-Linear Model):   0.3267
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1428
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4470
     BioHC Half-Life (days)     :   2.7989
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  205 Pa (1.54 mm Hg)
  Log Koa (Koawin est  ): 3.710
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.46E-008 
       Octanol/air (Koa) model:  1.26E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.28E-007 
       Mackay model           :  1.17E-006 
       Octanol/air (Koa) model:  1.01E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 267.2596 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.815 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   223.583740 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      7.381 Min
   Fraction sorbed to airborne particulates (phi):
      8.48E-007 (Junge-Pankow, Mackay avg)
      1.01E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1120  L/kg (MCI method)
      Log Koc:  3.049       (MCI method)
      Koc    :  1.299E+004  L/kg (Kow method)
      Log Koc:  4.113       (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 = 2.796 (BCF = 625 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6543 days (HL = 4.511 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.139 (BCF = 1376)
   Log BAF Arnot-Gobas method (upper trophic) = 3.161 (BAF = 1448)
       log Kow used: 4.74 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0056 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.303  hours
    Half-Life from Model Lake :      111.4  hours   (4.64 days)
 
 Removal In Wastewater Treatment:
    Total removal:              83.98  percent
    Total biodegradation:        0.37  percent
    Total sludge adsorption:    53.99  percent
    Total to Air:               29.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0402          0.109        1000       
   Water     25.2            360          1000       
   Soil      73.7            720          1000       
   Sediment  0.982           3.24e+003    0          
     Persistence Time: 249 hr