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CAS Number: 7446-70-0

SMILES : CL[Al](CL)CL

CHEM : Aluminum chloride (AlCl3)

MOL FOR: CL3 Al1

MOL WT : 133.34

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 1.26

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

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

*** WARNING: Estimations NOT VALID ***

Boiling Pt (deg C): 555.92 (Adapted Stein & Brown method)

Melting Pt (deg C): 236.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.93E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 2.58E-009 (Modified Grain method)

Subcooled liquid VP: 3.72E-009 mm Hg (25 deg C, Mod-Grain method)

: 4.96E-007 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): 7491

log Kow used: 1.26 (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) = 32552 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: 4.520E-016 atm-m3/mole (4.580E-011 Pa-m3/mole)

VP: 1.93E-011 mm Hg (source: MPBPVP)

WS: 7.49E+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) : 0.6841

Biowin2 (Non-Linear Model) : 0.7531

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9045 (weeks )

Biowin4 (Primary Survey Model) : 3.6554 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3155

Biowin6 (MITI Non-Linear Model): 0.2102

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): 4.96E-007 Pa (3.72E-009 mm Hg)

Log Koa (): not available

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

Mackay model : 6.05

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.995

Mackay model : 0.998

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):

0.997 (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 : 31.82 L/kg (MCI method)

Log Koc: 1.503 (MCI method)

Koc : 12.39 L/kg (Kow method)

Log Koc: 1.093 (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 = 0.498 (BCF = 3.148 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4919 days (HL = 0.03222 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.280 (BCF = 1.908)

Log BAF Arnot-Gobas method (upper trophic) = 0.280 (BAF = 1.908)

log Kow used: 1.26 (estimated)

Volatilization from Water:

Henry LC: 4.52E-016 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 1.496E+012 hours (6.232E+010 days)

Half-Life from Model Lake : 1.632E+013 hours (6.798E+011 days)

Removal In Wastewater Treatment:

Total removal: 1.92 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.83 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 3.33e-006 1e+005 1000

Water 24.1 360 1000

Soil 75.9 720 1000

Sediment 0.076 3.24e+003 0

Persistence Time: 697 hr

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