SMILES : OCCCCCCCCCCCCCCCC
CHEM   : 1-Hexadecanol
CAS NUM: 036653-82-4
MOL FOR: C16 H34 O1 
MOL WT : 242.45
------------------------------ EPI SUMMARY (v3.20) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.73

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  330.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.61  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.93E-006  (Modified Grain method)
    MP  (exp database):  49.3 deg C
    BP  (exp database):  334 deg C
    VP  (exp database):  3.06E-06 mm Hg at 30 deg C
    Subcooled liquid VP: 5.32E-006 mm Hg (30 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1495
       log Kow used: 6.73 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0411 mg/L (25 deg C)
        Exper. Ref:  ROBB,ID (1966)
     Water Sol (Exper. database match) =  0.0134 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.072197 mg/L
    Wat Sol (Exper. database match) =  0.04
       Exper. Ref:  ROBB,ID (1966)
    Wat Sol (Exper. database match) =  0.01
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.99E-004  atm-m3/mole
   Group Method:   6.14E-004  atm-m3/mole
   Exper Database: 7.28E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.906E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.73  (KowWin est)
  Log Kaw used:  -2.526  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.256
      Log Koa (experimental database):  9.900

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8993
   Biowin2 (Non-Linear Model)     :   0.9260
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1217  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8965  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8936
   Biowin6 (MITI Non-Linear Model):   0.9522
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9614
 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):  0.000709 Pa (5.32E-006 mm Hg)
  Log Koa (Exp database): 9.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00423 
       Octanol/air (Koa) model:  0.00195 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.133 
       Mackay model           :  0.253 
       Octanol/air (Koa) model:  0.135 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.8466 E-12 cm3/molecule-sec
      Half-Life =     0.449 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.382 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.193 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3786
      Log Koc:  3.578 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.985 (BCF = 966.8)
       log Kow used: 6.73 (estimated)

 Volatilization from Water:
    Henry LC:  7.28E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      23.33  hours
    Half-Life from Model Lake :      284.5  hours   (11.85 days)

 Removal In Wastewater Treatment:
    Total removal:              93.68  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.89  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       0.387           10.8         1000       
   Water     4.55            360          1000       
   Soil      30.3            720          1000       
   Sediment  64.7            3.24e+003    0          
     Persistence Time: 1.16e+003 hr