CAS Number: 93894-30-5
SMILES : CC(=CCCC1=CCC(CC1)C=Nc2ccccc2C(=O)OC)C
CHEM   : methyl 2-[[4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl]methylideneamino
         ]benzoate
MOL FOR: C21 H27 N1 O2 
MOL WT : 325.45
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.72
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  409.61  (Adapted Stein & Brown method)
    Melting Pt (deg C):  129.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.36E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.81E-005  (Modified Grain method)
    Subcooled liquid VP: 4.85E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000647 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01591
       log Kow used: 6.72 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.58614 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Schiff Bases
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.12E-004  atm-m3/mole  (1.13E+001 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:  1.174E-005 atm-m3/mole  (1.189E+000 Pa-m3/mole)
      VP:   4.36E-007 mm Hg (source: MPBPVP)
      WS:   0.0159 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.72  (KowWin est)
  Log Kaw used:  -2.339  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.059
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7668
   Biowin2 (Non-Linear Model)     :   0.9218
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6202  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6071  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2539
   Biowin6 (MITI Non-Linear Model):   0.0767
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1940
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.000647 Pa (4.85E-006 mm Hg)
  Log Koa (Koawin est  ): 9.059
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00464 
       Octanol/air (Koa) model:  0.000281 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.144 
       Mackay model           :  0.271 
       Octanol/air (Koa) model:  0.022 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 186.7673 E-12 cm3/molecule-sec
      Half-Life =     0.057 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.687 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.207 (Junge-Pankow, Mackay avg)
      0.022 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.229E+005  L/kg (MCI method)
      Log Koc:  5.348       (MCI method)
      Koc    :  3.772E+004  L/kg (Kow method)
      Log Koc:  4.577       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.998E-002  L/mol-sec
  Kb Half-Life at pH 8:     200.670  days   
  Kb Half-Life at pH 7:       5.494  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 4.100 (BCF = 1.259e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6620 days (HL = 4.592 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.942 (BCF = 875.1)
   Log BAF Arnot-Gobas method (upper trophic) = 3.685 (BAF = 4839)
       log Kow used: 6.72 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000112 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      11.27  hours
    Half-Life from Model Lake :      274.2  hours   (11.43 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.68  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.88  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00773         0.26         1000       
   Water     5.71            900          1000       
   Soil      46.7            1.8e+003     1000       
   Sediment  47.6            8.1e+003     0          
     Persistence Time: 1.86e+003 hr