CAS Number: 148-24-3
SMILES : n(c(c(ccc1)cc2)c1O)c2
CHEM   : 8-Quinolinol
MOL FOR: C9 H7 N1 O1 
MOL WT : 145.16
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  1.66
    Log Kow (Exper. database match) =  2.02
       Exper. Ref:  HANSCH,C ET AL. (1995)
    Log Kow (Exper. database match) =  1.85
       Exper. Ref:  AUSTIN,RP ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  290.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  81.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.004  (Modified Grain method)
    MP  (exp database):  226 dec deg C
    BP  (exp database):  267 deg C
    VP  (exp database):  1.66E-03 mm Hg (2.21E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.161 mm Hg (25 deg C, exp database VP )
                       : 21.5 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7965
       log Kow used: 1.85 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  556 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
     Water Sol (Exper. database match) =  417 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  675.45 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.16E-011  atm-m3/mole  (7.26E-006 Pa-m3/mole)
   Group Method:   1.90E-010  atm-m3/mole  (1.92E-005 Pa-m3/mole)
   Exper Database: 5.70E-07  atm-m3/mole  (5.78E-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:  7.194E-010 atm-m3/mole  (7.289E-005 Pa-m3/mole)
      VP:   3E-005 mm Hg (source: MPBPVP)
      WS:   7.97E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.85  (exp database)
  Log Kaw used:  -4.633  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.483
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7942
   Biowin2 (Non-Linear Model)     :   0.8648
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9348  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6780  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3938
   Biowin6 (MITI Non-Linear Model):   0.3880
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3442
 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):  21.5 Pa (0.161 mm Hg)
  Log Koa (Koawin est  ): 6.483
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.4E-007 
       Octanol/air (Koa) model:  7.46E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.05E-006 
       Mackay model           :  1.12E-005 
       Octanol/air (Koa) model:  5.97E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 198.4105 E-12 cm3/molecule-sec
      Half-Life =     0.054 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.647 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.11E-006 (Junge-Pankow, Mackay avg)
      5.97E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2024  L/kg (MCI method)
      Log Koc:  3.306       (MCI method)
      Koc    :  130.4  L/kg (Kow method)
      Log Koc:  2.115       (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 = 0.888 (BCF = 7.72 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3709 days (HL = 0.04257 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.670 (BCF = 4.674)
   Log BAF Arnot-Gobas method (upper trophic) = 0.670 (BAF = 4.674)
       log Kow used: 1.85 (expkow database)
 
 Volatilization from Water:
    Henry LC:  5.7E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1239  hours   (51.62 days)
    Half-Life from Model Lake : 1.361E+004  hours   (567.3 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.16  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.03  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.129           1.29         1000       
   Water     24.3            360          1000       
   Soil      74              720          1000       
   Sediment  1.61            3.24e+003    0          
     Persistence Time: 469 hr