CAS Num: 007732-18-5
SMILES : O
CHEM   : Water
MOL FOR: H2 O1 
MOL WT : 18.02
------------------------------ 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):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)
    Log Kow (KOWWIN v1.67 estimate) =  -1.38

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
   *** WARNING: Inorganic Compound (Outside Estimate Domain) ***
   *** WARNING: Estimations NOT VALID ***
    Boiling Pt (deg C):  439.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  146.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.36E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.82E-005  (Modified Grain method)
    Subcooled liquid VP: 2.31E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000308 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)**
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -1.38 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    *** WARNING: Inorganic Compound (Outside Estimation Domain)***
    *** WARNING: Wat Sol Estimation NOT Valid ***
    Wat Sol (v1.01 est) =  31979 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   *** WARNING: Inorganic Compound (Outside Estimation Domain) **
   *** WARNING: Estimation NOT VALID **
   Bond Method :   8.41E-009  atm-m3/mole  (8.52E-004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.225E-015 atm-m3/mole  (3.267E-010 Pa-m3/mole)
      VP:   1.36E-007 mm Hg (source: MPBPVP)
      WS:   1E+006 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
   *** WARNING: Inorganic Compound (Outside Estimation Domain)**
   *** WARNING: Estimation NOT VALID ***
  Log Kow used:  -1.38  (KowWin est)
  Log Kaw used:  -6.464  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.084
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)**
    *** WARNING: Estimation NOT VALID ***
   Biowin1 (Linear Model)         :   0.7390
   Biowin2 (Non-Linear Model)     :   0.9401
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1594  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8217  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6585
   Biowin6 (MITI Non-Linear Model):   0.8814
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  0.000308 Pa (2.31E-006 mm Hg)
  Log Koa (Koawin est  ): 5.084
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00974 
       Octanol/air (Koa) model:  2.98E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.26 
       Mackay model           :  0.438 
       Octanol/air (Koa) model:  2.38E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
    *** WARNING: Inorganic Compound (Outside Estimation Domain)***
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.349 (Junge-Pankow, Mackay avg)
      2.38E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
   *** WARNING: Inorganic Coumpound (Outside Estimation Domain) **
   *** WARNING: Estimation NOT VALID **
      Koc    :  13.22  L/kg (MCI method)
      Log Koc:  1.121       (MCI method)
      Koc    :  0.06337  L/kg (Kow method)
      Log Koc:  -1.198      (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) = -2.0074 days (HL = 0.009831 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8943)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8943)
       log Kow used: -1.38 (estimated)

 Volatilization from Water:
    Henry LC:  8.41E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.722E+004  hours   (2801 days)
    Half-Life from Model Lake : 6.722E+004  hours   (2801 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.233           1e+005       1000       
   Water     29.2            360          1000       
   Soil      70.5            720          1000       
   Sediment  0.0697          3.24e+003    0          
     Persistence Time: 643 hr