CAS Num: 000529-05-5
SMILES : C(C=C1C(=CC=2)C)=C(C)C1=CC2CC
CHEM   : AZULENE, 7-ETHYL-1,4-DIMETHYL-
MOL FOR: C14 H16 
MOL WT : 184.28
------------------------------ 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) =  5.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  57.28  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0164  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.19  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  161 @ 12 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.2979
       log Kow used: 5.51 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.3327 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.01E-001  atm-m3/mole  (2.03E+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:  1.335E-002 atm-m3/mole  (1.353E+003 Pa-m3/mole)
      VP:   0.0164 mm Hg (source: MPBPVP)
      WS:   0.298 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.51  (KowWin est)
  Log Kaw used:  0.915  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.595
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6598
   Biowin2 (Non-Linear Model)     :   0.5967
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7919  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5819  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2455
   Biowin6 (MITI Non-Linear Model):   0.1030
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2557
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8140
     BioHC Half-Life (days)     :   6.5166

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.24 Pa (0.0168 mm Hg)
  Log Koa (Koawin est  ): 4.595
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.34E-006 
       Octanol/air (Koa) model:  9.66E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.84E-005 
       Mackay model           :  0.000107 
       Octanol/air (Koa) model:  7.73E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 402.2633 E-12 cm3/molecule-sec
      Half-Life =     0.027 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.144 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    39.662498 E-17 cm3/molecule-sec
      Half-Life =     0.029 Days (at 7E11 mol/cm3)
      Half-Life =     41.607 Min
   Fraction sorbed to airborne particulates (phi):
      7.78E-005 (Junge-Pankow, Mackay avg)
      7.73E-007 (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    :  6.05E+004  L/kg (Kow method)
      Log Koc:  4.782       (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 = 3.305 (BCF = 2018 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.5864 days (HL = 38.58 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.892 (BCF = 7801)
   Log BAF Arnot-Gobas method (upper trophic) = 4.857 (BAF = 7.2e+004)
       log Kow used: 5.51 (estimated)

 Volatilization from Water:
    Henry LC:  0.201 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.389  hours
    Half-Life from Model Lake :        129  hours   (5.374 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.95  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    58.48  percent
    Total to Air:               40.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.197           0.332        1000       
   Water     34.9            360          1000       
   Soil      52              720          1000       
   Sediment  12.9            3.24e+003    0          
     Persistence Time: 176 hr