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CAS Num: 013463-67-7

SMILES : O=[Ti]=O

CHEM : Titanium dioxide

MOL FOR: O2 Ti1

MOL WT : 79.87

------------------------------ 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) = 2.23

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

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

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 564.42 (Adapted Stein & Brown method)

Melting Pt (deg C): 242.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.45E+003 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.27E+005 (Mean VP of Antoine & Grain methods)

MP (exp database): -72 deg C

BP (exp database): -10 deg C

VP (exp database): 3.00E+03 mm Hg (4.00E+005 Pa) at 25 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): 1634

log Kow used: 2.23 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.07e+005 mg/L (21 deg C)

Exper. Ref: VENABLE,CS & FUWA,T (1922)

Water Sol Estimate from Fragments:

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

*** WARNING: Wat Sol Estimation NOT Valid ***

Wat Sol (v1.01 est) = 1.4177e+005 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: 4.888E-002 atm-m3/mole (4.953E+003 Pa-m3/mole)

VP: 2.45E+003 mm Hg (source: MPBPVP)

WS: 1.63E+003 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) : 0.7095

Biowin2 (Non-Linear Model) : 0.8670

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0227 (weeks )

Biowin4 (Primary Survey Model) : 3.7325 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4745

Biowin6 (MITI Non-Linear Model): 0.5548

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): 4E+005 Pa (3E+003 mm Hg)

Log Koa (): not available

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

Mackay model : 7.5E-012

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.71E-010

Mackay model : 6E-010

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):

4.35E-010 (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 : 86.1 L/kg (Kow method)

Log Koc: 1.935 (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 = 1.138 (BCF = 13.73 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0568 days (HL = 0.08774 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.047 (BCF = 11.14)

Log BAF Arnot-Gobas method (upper trophic) = 1.047 (BAF = 11.14)

log Kow used: 2.23 (estimated)

Volatilization from Water:

Henry LC: 0.0489 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 0.9227 hours (55.36 min)

Half-Life from Model Lake : 85 hours (3.542 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.39 percent

Total biodegradation: 0.02 percent

Total sludge adsorption: 0.67 percent

Total to Air: 97.70 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 56.6 1e+005 1000

Water 42.5 360 1000

Soil 0.758 720 1000

Sediment 0.117 3.24e+003 0

Persistence Time: 145 hr

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