CAS Number: 5333-44-8
SMILES : OCC(CCCCCCCCC)CCCCCCC
CHEM   : 1-Undecanol, 2-heptyl-
MOL FOR: C18 H38 O1 
MOL WT : 270.50
------------------------------ 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) =  7.64
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  347.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.94E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000258  (Modified Grain method)
    Subcooled liquid VP: 6.08E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000811 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01745
       log Kow used: 7.64 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.011384 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.27E-004  atm-m3/mole  (5.34E+001 Pa-m3/mole)
   Group Method:   1.47E-003  atm-m3/mole  (1.49E+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:  3.957E-005 atm-m3/mole  (4.009E+000 Pa-m3/mole)
      VP:   1.94E-006 mm Hg (source: MPBPVP)
      WS:   0.0175 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.64  (KowWin est)
  Log Kaw used:  -1.667  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.307
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9944
   Biowin2 (Non-Linear Model)     :   0.9815
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3580  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1251  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7599
   Biowin6 (MITI Non-Linear Model):   0.8911
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3982
 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):  0.000811 Pa (6.08E-006 mm Hg)
  Log Koa (Koawin est  ): 9.307
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0037 
       Octanol/air (Koa) model:  0.000498 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.118 
       Mackay model           :  0.228 
       Octanol/air (Koa) model:  0.0383 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.3597 E-12 cm3/molecule-sec
      Half-Life =     0.391 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.691 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.173 (Junge-Pankow, Mackay avg)
      0.0383 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.426E+004  L/kg (MCI method)
      Log Koc:  4.154       (MCI method)
      Koc    :  5.49E+004  L/kg (Kow method)
      Log Koc:  4.740       (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 = 3.212 (BCF = 1631 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7867 days (HL = 6.12 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.381 (BCF = 240.5)
   Log BAF Arnot-Gobas method (upper trophic) = 3.929 (BAF = 8485)
       log Kow used: 7.64 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000527 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.505  hours
    Half-Life from Model Lake :      176.1  hours   (7.34 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.99  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.20  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       1.48            9.38         1000       
   Water     23.9            208          1000       
   Soil      72.6            416          1000       
   Sediment  2               1.87e+003    0          
     Persistence Time: 286 hr