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CAS Num: 010028-15-6

SMILES : O=O=O

CHEM : Ozone

MOL FOR: O3

MOL WT : 48.00

------------------------------ 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) = -0.87

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

*** WARNING: Inorganic Compound (Outside Estimate Domain) ***

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 446.88 (Adapted Stein & Brown method)

Melting Pt (deg C): 160.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.96E+004 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.61E+006 (Mean VP of Antoine & Grain methods)

MP (exp database): -193 deg C

BP (exp database): -111.9 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.41):

*** WARNING: Inorganic Compound (Outside Estimation Domain)**

Water Solubility at 25 deg C (mg/L): 7.441e+005

log Kow used: -0.87 (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) = 85201 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Peroxy Acids

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: 6.451E-005 atm-m3/mole (6.536E+000 Pa-m3/mole)

VP: 4.96E+004 mm Hg (source: MPBPVP)

WS: 7.44E+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) : 0.7247

Biowin2 (Non-Linear Model) : 0.9111

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0931 (weeks )

Biowin4 (Primary Survey Model) : 3.7785 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5693

Biowin6 (MITI Non-Linear Model): 0.7577

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): 3.32E+006 Pa (2.49E+004 mm Hg)

Log Koa (): not available

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 9.04E-013

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.26E-011

Mackay model : 7.23E-011

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 = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.25E-011 (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 : 21.73 L/kg (MCI method)

Log Koc: 1.337 (MCI method)

Koc : 0.1756 L/kg (Kow method)

Log Koc: -0.755 (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) = -1.9278 days (HL = 0.01181 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8976)

Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8976)

log Kow used: -0.87 (estimated)

Volatilization from Water:

Henry LC: 6.45E-005 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 6.995 hours

Half-Life from Model Lake : 134.4 hours (5.6 days)

Removal In Wastewater Treatment:

Total removal: 62.85 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 0.82 percent

Total to Air: 61.99 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 49.8 1e+005 1000

Water 40.2 360 1000

Soil 9.81 720 1000

Sediment 0.11 3.24e+003 0

Persistence Time: 160 hr

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