CAS Number: 586-95-8
SMILES : n(ccc(c1)CO)c1
CHEM   : 4-Pyridinemethanol
MOL FOR: C6 H7 N1 O1 
MOL WT : 109.13
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  -0.11
    Log Kow (Exper. database match) =  0.06
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  214.76  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0151  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.01  (Modified Grain method)
    MP  (exp database):  53 deg C
    BP  (exp database):  140-142 @ 12 mm Hg deg C
    Subcooled liquid VP: 0.0273 mm Hg (25 deg C, Mod-Grain method)
                       : 3.64 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: 0.06 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  KIRK-OTHMER; 4th ed, 20:645 (1996)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Benzyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.85E-010  atm-m3/mole  (2.88E-005 Pa-m3/mole)
   Group Method:   5.23E-011  atm-m3/mole  (5.30E-006 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:  2.168E-009 atm-m3/mole  (2.197E-004 Pa-m3/mole)
      VP:   0.0151 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.06  (exp database)
  Log Kaw used:  -7.934  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.994
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6998
   Biowin2 (Non-Linear Model)     :   0.7189
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9038  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8010  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4923
   Biowin6 (MITI Non-Linear Model):   0.5684
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2209
 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):  3.64 Pa (0.0273 mm Hg)
  Log Koa (Koawin est  ): 7.994
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.24E-007 
       Octanol/air (Koa) model:  2.42E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.98E-005 
       Mackay model           :  6.59E-005 
       Octanol/air (Koa) model:  0.00193 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.3284 E-12 cm3/molecule-sec
      Half-Life =     2.471 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.653 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.78E-005 (Junge-Pankow, Mackay avg)
      0.00193 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.56  L/kg (MCI method)
      Log Koc:  1.024       (MCI method)
      Koc    :  5.287  L/kg (Kow method)
      Log Koc:  0.723       (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0331 days (HL = 0.009265 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.033 (BCF = 0.9259)
   Log BAF Arnot-Gobas method (upper trophic) = -0.033 (BAF = 0.9259)
       log Kow used: 0.06 (expkow database)
 
 Volatilization from Water:
    Henry LC:  5.23E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.169E+007  hours   (4.873E+005 days)
    Half-Life from Model Lake : 1.276E+008  hours   (5.316E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.00111         59.3         1000       
   Water     30.3            360          1000       
   Soil      69.7            720          1000       
   Sediment  0.0688          3.24e+003    0          
     Persistence Time: 643 hr