CAS Number: 2370-13-0
SMILES : OCC(C)(C)CCCC
CHEM   : 1-HEXANOL, 2,2-DIMETHYL-
MOL FOR: C8 H18 O1 
MOL WT : 130.23
------------------------------ 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) =  2.69
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  180.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.375  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  50  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  172.5 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1485
       log Kow used: 2.69 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1887.7 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.10E-005  atm-m3/mole  (3.14E+000 Pa-m3/mole)
   Group Method:   4.66E-005  atm-m3/mole  (4.72E+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:  4.327E-005 atm-m3/mole  (4.384E+000 Pa-m3/mole)
      VP:   0.375 mm Hg (source: MPBPVP)
      WS:   1.49E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.69  (KowWin est)
  Log Kaw used:  -2.897  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.587
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7688
   Biowin2 (Non-Linear Model)     :   0.9167
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1576  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9049  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7524
   Biowin6 (MITI Non-Linear Model):   0.8749
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1821
 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):  44.5 Pa (0.334 mm Hg)
  Log Koa (Koawin est  ): 5.587
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.74E-008 
       Octanol/air (Koa) model:  9.48E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.43E-006 
       Mackay model           :  5.39E-006 
       Octanol/air (Koa) model:  7.59E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.6376 E-12 cm3/molecule-sec
      Half-Life =     1.238 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.860 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.91E-006 (Junge-Pankow, Mackay avg)
      7.59E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  26.94  L/kg (MCI method)
      Log Koc:  1.430       (MCI method)
      Koc    :  100.4  L/kg (Kow method)
      Log Koc:  2.002       (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 = 1.445 (BCF = 27.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5368 days (HL = 0.2906 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.555 (BCF = 35.86)
   Log BAF Arnot-Gobas method (upper trophic) = 1.555 (BAF = 35.86)
       log Kow used: 2.69 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.1E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.72  hours
    Half-Life from Model Lake :      343.5  hours   (14.31 days)
 
 Removal In Wastewater Treatment:
    Total removal:               5.36  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.62  percent
    Total to Air:                1.63  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.25            29.7         1000       
   Water     33.4            360          1000       
   Soil      63.2            720          1000       
   Sediment  0.0988          3.24e+003    0          
     Persistence Time: 375 hr