CAS Num: 000110-98-5
SMILES : O(CC(O)C)CC(O)C
CHEM   : 2-Propanol, 1,1 -oxybis-
MOL FOR: C6 H14 O3 
MOL WT : 134.18
------------------------------ 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) =  -0.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  218.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  6.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0073  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.973  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-40 deg C
    BP  (exp database):  230.5 deg C
    VP  (exp database):  3.19E-02 mm Hg (4.25E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.107e+005
       log Kow used: -0.64 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.1 mg/L ( deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  HANN,RWJR & JENSEN,PA (1977)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.58E-009  atm-m3/mole  (3.63E-004 Pa-m3/mole)
   Group Method:   6.58E-013  atm-m3/mole  (6.67E-008 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:  4.148E-009 atm-m3/mole  (4.203E-004 Pa-m3/mole)
      VP:   0.0073 mm Hg (source: MPBPVP)
      WS:   3.11E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.64  (KowWin est)
  Log Kaw used:  -6.835  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.195
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6538
   Biowin2 (Non-Linear Model)     :   0.4774
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2139  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9033  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6350
   Biowin6 (MITI Non-Linear Model):   0.7776
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4055
 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):  4.25 Pa (0.0319 mm Hg)
  Log Koa (Koawin est  ): 6.195
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.05E-007 
       Octanol/air (Koa) model:  3.85E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.55E-005 
       Mackay model           :  5.64E-005 
       Octanol/air (Koa) model:  3.08E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.3336 E-12 cm3/molecule-sec
      Half-Life =     0.341 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.096 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.09E-005 (Junge-Pankow, Mackay avg)
      3.08E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  0.4546  L/kg (Kow method)
      Log Koc:  -0.342      (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0677 days (HL = 0.008556 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.8993)
   Log BAF Arnot-Gobas method (upper trophic) = -0.046 (BAF = 0.8993)
       log Kow used: -0.64 (estimated)

 Volatilization from Water:
    Henry LC:  3.58E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.894E+005  hours   (7893 days)
    Half-Life from Model Lake : 2.067E+006  hours   (8.611E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0771          8.19         1000       
   Water     38.4            360          1000       
   Soil      61.5            720          1000       
   Sediment  0.0718          3.24e+003    0          
     Persistence Time: 559 hr