CAS Number: 27774-13-6
SMILES : OS(=O)(=O)O[V]=O
CHEM   : Vanadyl sulfate
MOL FOR: H1 O5 S1 V1 
MOL WT : 164.01
------------------------------ 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):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)
    Log Kow (KOWWIN v1.67 estimate) =  -0.27
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
   *** WARNING: Inorganic Compound (Outside Estimate Domain) ***
   *** WARNING: Estimations NOT VALID ***
    Boiling Pt (deg C):  709.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  310.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.88E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  3.84E-018  (Modified Grain method)
    Subcooled liquid VP: 4.59E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 6.12E-015 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):  1.118e+005
       log Kow used: -0.27 (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) =  1e+006 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 :   Incomplete
   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:  5.559E-026 atm-m3/mole  (5.633E-021 Pa-m3/mole)
      VP:   2.88E-020 mm Hg (source: MPBPVP)
      WS:   1.12E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
    *** WARNING: Inorganic Compound (Outside Estimation Domain)**
    *** WARNING: Estimation NOT VALID ***
   Biowin1 (Linear Model)         :   0.6695
   Biowin2 (Non-Linear Model)     :   0.6637
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8367  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6111  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2242
   Biowin6 (MITI Non-Linear Model):   0.0989
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  6.12E-015 Pa (4.59E-017 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.9E+008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  not available
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
    *** WARNING: Inorganic Compound (Outside Estimation Domain)***
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1400 E-12 cm3/molecule-sec
      Half-Life =    76.400 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      not available (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    :  7.894  L/kg (MCI method)
      Log Koc:  0.897       (MCI method)
      Koc    :  8.654  L/kg (Kow method)
      Log Koc:  0.937       (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) = -2.0409 days (HL = 0.009101 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.042 (BCF = 0.9082)
   Log BAF Arnot-Gobas method (upper trophic) = -0.042 (BAF = 0.9082)
       log Kow used: -0.27 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.56E-026 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 1.349E+022  hours   (5.62E+020 days)
    Half-Life from Model Lake : 1.471E+023  hours   (6.131E+021 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       5.64e-008       1.83e+003    1000       
   Water     31.8            360          1000       
   Soil      68.2            720          1000       
   Sediment  0.0687          3.24e+003    0          
     Persistence Time: 631 hr