CAS Number: 52019-78-0
SMILES : CCCCC(C)O
CHEM   : (2S)-hexan-2-ol
MOL FOR: C6 H14 O1 
MOL WT : 102.18
------------------------------ 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) =  1.75
    Log Kow (Exper. database match) =  1.76
       Exper. Ref:  FUNASAKI,N ET AL. (1986)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  138.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.94  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  392  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  136 deg C
    VP  (exp database):  2.49E+00 mm Hg (3.32E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.171e+004
       log Kow used: 1.76 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.37e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11959 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.76E-005  atm-m3/mole  (1.78E+000 Pa-m3/mole)
   Group Method:   3.22E-005  atm-m3/mole  (3.27E+000 Pa-m3/mole)
   Exper Database: 2.44E-05  atm-m3/mole  (2.47E+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:  3.376E-005 atm-m3/mole  (3.420E+000 Pa-m3/mole)
      VP:   2.94 mm Hg (source: MPBPVP)
      WS:   1.17E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.76  (exp database)
  Log Kaw used:  -3.001  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.761
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9661
   Biowin2 (Non-Linear Model)     :   0.9892
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4317  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0988  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6677
   Biowin6 (MITI Non-Linear Model):   0.8591
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4041
 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):  332 Pa (2.49 mm Hg)
  Log Koa (Koawin est  ): 4.761
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.04E-009 
       Octanol/air (Koa) model:  1.42E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.26E-007 
       Mackay model           :  7.23E-007 
       Octanol/air (Koa) model:  1.13E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.8012 E-12 cm3/molecule-sec
      Half-Life =     0.836 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.027 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.25E-007 (Junge-Pankow, Mackay avg)
      1.13E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.695  L/kg (MCI method)
      Log Koc:  0.987       (MCI method)
      Koc    :  30.7  L/kg (Kow method)
      Log Koc:  1.487       (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 = 0.828 (BCF = 6.734 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9141 days (HL = 0.1219 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.744 (BCF = 5.545)
   Log BAF Arnot-Gobas method (upper trophic) = 0.744 (BAF = 5.545)
       log Kow used: 1.76 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.44E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      25.29  hours   (1.054 days)
    Half-Life from Model Lake :      360.6  hours   (15.03 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.38  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  percent
    Total to Air:                1.33  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.84            21.2         1000       
   Water     37.4            208          1000       
   Soil      58.7            416          1000       
   Sediment  0.0783          1.87e+003    0          
     Persistence Time: 236 hr