CAS Number: 20815-27-4
SMILES : n1c(CCCCCCC)cccc1
CHEM   : 2-heptylpyridine
MOL FOR: C12 H19 N1 
MOL WT : 177.29
------------------------------ 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) =  4.30
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  255.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  42.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0136  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.81  (Modified Grain method)
    Subcooled liquid VP: 0.0197 mm Hg (25 deg C, Mod-Grain method)
                       : 2.63 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  241.6
       log Kow used: 4.30 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  99.231 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.26E-005  atm-m3/mole  (4.32E+000 Pa-m3/mole)
   Group Method:   7.22E-005  atm-m3/mole  (7.31E+000 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:  1.313E-005 atm-m3/mole  (1.331E+000 Pa-m3/mole)
      VP:   0.0136 mm Hg (source: MPBPVP)
      WS:   242 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.30  (KowWin est)
  Log Kaw used:  -2.759  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.059
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6717
   Biowin2 (Non-Linear Model)     :   0.7814
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8167  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7737  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3759
   Biowin6 (MITI Non-Linear Model):   0.3706
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7063
 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):  2.63 Pa (0.0197 mm Hg)
  Log Koa (Koawin est  ): 7.059
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.14E-006 
       Octanol/air (Koa) model:  2.81E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.13E-005 
       Mackay model           :  9.14E-005 
       Octanol/air (Koa) model:  0.000225 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.0365 E-12 cm3/molecule-sec
      Half-Life =     1.184 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.204 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.63E-005 (Junge-Pankow, Mackay avg)
      0.000225 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4413  L/kg (MCI method)
      Log Koc:  3.645       (MCI method)
      Koc    :  3019  L/kg (Kow method)
      Log Koc:  3.480       (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 = 2.503 (BCF = 318.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2655 days (HL = 0.5426 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.316 (BCF = 207.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.316 (BAF = 207.2)
       log Kow used: 4.30 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.22E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      12.16  hours
    Half-Life from Model Lake :      244.3  hours   (10.18 days)
 
 Removal In Wastewater Treatment:
    Total removal:              46.69  percent
    Total biodegradation:        0.43  percent
    Total sludge adsorption:    44.31  percent
    Total to Air:                1.95  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.4             28.4         1000       
   Water     20.7            360          1000       
   Soil      74.1            720          1000       
   Sediment  2.82            3.24e+003    0          
     Persistence Time: 465 hr