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CAS Number: 14808-60-7

SMILES : [Si](=O)=O

CHEM : Quartz (SiO2)

MOL FOR: O2 Si1

MOL WT : 60.08

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 0.53

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

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

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 433.44 (Adapted Stein & Brown method)

Melting Pt (deg C): 158.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.36E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 7.14E-006 (Modified Grain method)

Subcooled liquid VP: 1.26E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000168 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

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

Water Solubility at 25 deg C (mg/L): 4.844e+004

log Kow used: 0.53 (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) = 439.52 mg/L

ECOSAR Class Program (ECOSAR v1.11):

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: 8.747E-014 atm-m3/mole (8.863E-009 Pa-m3/mole)

VP: 5.36E-008 mm Hg (source: MPBPVP)

WS: 4.84E+004 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) : 0.7189

Biowin2 (Non-Linear Model) : 0.8962

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0664 (weeks )

Biowin4 (Primary Survey Model) : 3.7610 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5334

Biowin6 (MITI Non-Linear Model): 0.6881

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): 0.000168 Pa (1.26E-006 mm Hg)

Log Koa (): not available

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

Mackay model : 0.0179

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.392

Mackay model : 0.588

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):

0.49 (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 : 2.881 L/kg (Kow method)

Log Koc: 0.460 (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 v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5284 days (HL = 0.02962 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.036 (BCF = 1.086)

Log BAF Arnot-Gobas method (upper trophic) = 0.036 (BAF = 1.086)

log Kow used: 0.53 (estimated)

Volatilization from Water:

Henry LC: 8.75E-014 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 5.188E+009 hours (2.162E+008 days)

Half-Life from Model Lake : 5.66E+010 hours (2.358E+009 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 3.16e-006 1e+005 1000

Water 26.2 360 1000

Soil 73.8 720 1000

Sediment 0.0717 3.24e+003 0

Persistence Time: 678 hr

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