CAS Num: 002116-62-3
SMILES : n(c(ccc1)CCc(cccc2)c2)c1
CHEM   : Pyridine, 2-(2-phenylethyl)-
MOL FOR: C13 H13 N1 
MOL WT : 183.26
------------------------------ 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) =  3.55

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  292.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00349  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.466  (Modified Grain method)
    MP  (exp database):  -3 deg C
    BP  (exp database):  289 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  983.2
       log Kow used: 3.55 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  182.43 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.34E-007  atm-m3/mole  (8.45E-002 Pa-m3/mole)
   Group Method:   2.68E-007  atm-m3/mole  (2.72E-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:  8.559E-007 atm-m3/mole  (8.673E-002 Pa-m3/mole)
      VP:   0.00349 mm Hg (source: MPBPVP)
      WS:   983 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.55  (KowWin est)
  Log Kaw used:  -4.467  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.017
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7432
   Biowin2 (Non-Linear Model)     :   0.8483
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4523  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4324  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0960
   Biowin6 (MITI Non-Linear Model):   0.0837
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5929
 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):  0.465 Pa (0.00349 mm Hg)
  Log Koa (Koawin est  ): 8.017
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.45E-006 
       Octanol/air (Koa) model:  2.55E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000233 
       Mackay model           :  0.000515 
       Octanol/air (Koa) model:  0.00204 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.0621 E-12 cm3/molecule-sec
      Half-Life =     1.327 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.920 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000374 (Junge-Pankow, Mackay avg)
      0.00204 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8214  L/kg (MCI method)
      Log Koc:  3.915       (MCI method)
      Koc    :  1162  L/kg (Kow method)
      Log Koc:  3.065       (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 = 2.010 (BCF = 102.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7683 days (HL = 0.1705 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.782 (BCF = 60.55)
   Log BAF Arnot-Gobas method (upper trophic) = 1.782 (BAF = 60.55)
       log Kow used: 3.55 (estimated)

 Volatilization from Water:
    Henry LC:  2.68E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2959  hours   (123.3 days)
    Half-Life from Model Lake : 3.239E+004  hours   (1350 days)

 Removal In Wastewater Treatment:
    Total removal:              14.23  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    14.03  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.595           31.8         1000       
   Water     14.2            900          1000       
   Soil      78.4            1.8e+003     1000       
   Sediment  6.78            8.1e+003     0          
     Persistence Time: 1.33e+003 hr