CAS Number: 75782-86-4
SMILES : OCCCCCCCCCCCCC
CHEM   : Alcohols, C12-13
MOL FOR: C13 H28 O1 
MOL WT : 200.37
------------------------------ 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) =  5.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  288.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  31.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000237  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0316  (Modified Grain method)
    MP  (exp database):  32.5 deg C
    BP  (exp database):  152 @ 14 mm Hg deg C
    VP  (exp database):  4.36E-04 mm Hg (5.81E-002 Pa) at 25 deg C
    Subcooled liquid VP: 0.000517 mm Hg (25 deg C, exp database VP )
                       : 0.069 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.533
       log Kow used: 5.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.4366 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.28E-004  atm-m3/mole  (1.30E+001 Pa-m3/mole)
   Group Method:   2.18E-004  atm-m3/mole  (2.21E+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:  1.378E-005 atm-m3/mole  (1.397E+000 Pa-m3/mole)
      VP:   0.000237 mm Hg (source: MPBPVP)
      WS:   4.53 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.26  (KowWin est)
  Log Kaw used:  -2.281  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.541
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9193
   Biowin2 (Non-Linear Model)     :   0.9579
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2147  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9572  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8706
   Biowin6 (MITI Non-Linear Model):   0.9488
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8834
 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):  0.0689 Pa (0.000517 mm Hg)
  Log Koa (Koawin est  ): 7.541
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.35E-005 
       Octanol/air (Koa) model:  8.53E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00157 
       Mackay model           :  0.00347 
       Octanol/air (Koa) model:  0.000682 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.6075 E-12 cm3/molecule-sec
      Half-Life =     0.546 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.546 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00252 (Junge-Pankow, Mackay avg)
      0.000682 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  769.6  L/kg (MCI method)
      Log Koc:  2.886       (MCI method)
      Koc    :  2649  L/kg (Kow method)
      Log Koc:  3.423       (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 = 1.764 (BCF = 58.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0739 days (HL = 1.186 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.672 (BCF = 469.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.677 (BAF = 475.8)
       log Kow used: 5.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000128 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      7.919  hours
    Half-Life from Model Lake :      205.1  hours   (8.545 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.60  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    83.23  percent
    Total to Air:                0.66  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.54            13.1         1000       
   Water     20.9            360          1000       
   Soil      77              720          1000       
   Sediment  0.583           3.24e+003    0          
     Persistence Time: 431 hr