CAS Num: 000087-29-6
SMILES : O=C(OCC=Cc(cccc1)c1)c(c(N)ccc2)c2
CHEM   : 2-Propen-1-ol, 3-phenyl-, 2-aminobenzoate
MOL FOR: C16 H15 N1 O2 
MOL WT : 253.30
------------------------------ 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) =  4.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  389.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  136.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.95E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000926  (Modified Grain method)
    MP  (exp database):  61 deg C
    Subcooled liquid VP: 1.5E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.002 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.031
       log Kow used: 4.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.5542 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Anilines (Aromatic Amines)
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.21E-010  atm-m3/mole  (7.31E-005 Pa-m3/mole)
   Group Method:   1.77E-010  atm-m3/mole  (1.80E-005 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:  1.141E-006 atm-m3/mole  (1.156E-001 Pa-m3/mole)
      VP:   6.95E-006 mm Hg (source: MPBPVP)
      WS:   2.03 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:  -7.531  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.271
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6955
   Biowin2 (Non-Linear Model)     :   0.9672
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6667  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6078  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2804
   Biowin6 (MITI Non-Linear Model):   0.1193
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0316
 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):  0.002 Pa (1.5E-005 mm Hg)
  Log Koa (Koawin est  ): 12.271
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0015 
       Octanol/air (Koa) model:  0.458 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0514 
       Mackay model           :  0.107 
       Octanol/air (Koa) model:  0.973 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  94.5260 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 102.1260 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.358 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.257 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.0793 (Junge-Pankow, Mackay avg)
      0.973 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4104  L/kg (MCI method)
      Log Koc:  3.613       (MCI method)
      Koc    :  2882  L/kg (Kow method)
      Log Koc:  3.460       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.083E-001  L/mol-sec
  Kb Half-Life at pH 8:      74.060  days   
  Kb Half-Life at pH 7:       2.028  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.794 (BCF = 622.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6187 days (HL = 0.2406 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.002 (BCF = 100.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.002 (BAF = 100.4)
       log Kow used: 4.74 (estimated)

 Volatilization from Water:
    Henry LC:  1.77E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 5.265E+006  hours   (2.194E+005 days)
    Half-Life from Model Lake : 5.743E+007  hours   (2.393E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              67.79  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    67.18  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00127         1.62         1000       
   Water     11.1            900          1000       
   Soil      86.3            1.8e+003     1000       
   Sediment  2.6             8.1e+003     0          
     Persistence Time: 1.86e+003 hr