CAS Number: 112-42-5
SMILES : OCCCCCCCCCCC
CHEM   : 1-Undecanol
MOL FOR: C11 H24 O1 
MOL WT : 172.31
------------------------------ 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) =  4.28
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  256.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  18.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0051  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.68  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  19 deg C
    BP  (exp database):  243 deg C
    VP  (exp database):  2.97E-03 mm Hg (3.96E-001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  43.04
       log Kow used: 4.28 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  24.849 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.26E-005  atm-m3/mole  (7.35E+000 Pa-m3/mole)
   Group Method:   1.09E-004  atm-m3/mole  (1.11E+001 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:  2.687E-005 atm-m3/mole  (2.722E+000 Pa-m3/mole)
      VP:   0.0051 mm Hg (source: MPBPVP)
      WS:   43 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.28  (KowWin est)
  Log Kaw used:  -2.528  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.808
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9327
   Biowin2 (Non-Linear Model)     :   0.9713
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2767  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9977  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8552
   Biowin6 (MITI Non-Linear Model):   0.9463
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8314
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.396 Pa (0.00297 mm Hg)
  Log Koa (Koawin est  ): 6.808
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.58E-006 
       Octanol/air (Koa) model:  1.58E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000274 
       Mackay model           :  0.000606 
       Octanol/air (Koa) model:  0.000126 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.7814 E-12 cm3/molecule-sec
      Half-Life =     0.637 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.648 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00044 (Junge-Pankow, Mackay avg)
      0.000126 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  231.7  L/kg (MCI method)
      Log Koc:  2.365       (MCI method)
      Koc    :  760.4  L/kg (Kow method)
      Log Koc:  2.881       (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 = 1.116 (BCF = 13.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2044 days (HL = 0.6246 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.368 (BCF = 233.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.368 (BAF = 233.5)
       log Kow used: 4.28 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.26E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      11.93  hours
    Half-Life from Model Lake :      240.2  hours   (10.01 days)
 
 Removal In Wastewater Treatment:
    Total removal:              45.67  percent
    Total biodegradation:        0.42  percent
    Total sludge adsorption:    43.24  percent
    Total to Air:                2.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.59            15.3         1000       
   Water     26.3            208          1000       
   Soil      70.9            416          1000       
   Sediment  0.225           1.87e+003    0          
     Persistence Time: 267 hr