CAS Num: 036653-82-4
SMILES : OCCCCCCCCCCCCCCCC
CHEM   : 1-Hexadecanol
MOL FOR: C16 H34 O1 
MOL WT : 242.45
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.43):
    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)
    VP (Pa, 25 deg C) :  0.00119  (Modified Grain method)
    MP  (exp database):  49.3 deg C
    BP  (exp database):  334 deg C
    VP  (exp database):  6.00E-06 mm Hg (8.00E-004 Pa) at 25 deg C
    Subcooled liquid VP: 1.04E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00139 Pa  (25 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) =  0.0412 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & HE,Y (2003)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.072197 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.99E-004  atm-m3/mole  (3.03E+001 Pa-m3/mole)
   Group Method:   6.14E-004  atm-m3/mole  (6.23E+001 Pa-m3/mole)
   Exper Database: 4.65E-05  atm-m3/mole  (4.71E+000 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:  1.906E-005 atm-m3/mole  (1.931E+000 Pa-m3/mole)
      VP:   8.93E-006 mm Hg (source: MPBPVP)
      WS:   0.149 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.73  (KowWin est)
  Log Kaw used:  -2.721  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.451
      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):  0.00139 Pa (1.04E-005 mm Hg)
  Log Koa (Exp database): 9.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00216 
       Octanol/air (Koa) model:  0.00195 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0725 
       Mackay model           :  0.148 
       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):
      0.11 (Junge-Pankow, Mackay avg)
      0.135 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4658  L/kg (MCI method)
      Log Koc:  3.668       (MCI method)
      Koc    :  1.723E+004  L/kg (Kow method)
      Log Koc:  4.236       (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 = 2.736 (BCF = 544.4 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4914 days (HL = 3.1 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.771 (BCF = 590.5)
   Log BAF Arnot-Gobas method (upper trophic) = 3.284 (BAF = 1923)
       log Kow used: 6.73 (estimated)

 Volatilization from Water:
    Henry LC:  4.65E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      21.19  hours
    Half-Life from Model Lake :      361.8  hours   (15.07 days)

 Removal In Wastewater Treatment:
    Total removal:              93.68  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.90  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       1.03            10.8         1000       
   Water     22              360          1000       
   Soil      74.5            720          1000       
   Sediment  2.49            3.24e+003    0          
     Persistence Time: 470 hr