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CAS Number: 1191-15-7

SMILES : CC(C[Al]CC(C)C)C

CHEM : Aluminum, hydrobis(2-methylpropyl)-

MOL FOR: C8 H19 Al1

MOL WT : 142.22

------------------------------ 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):

Log Kow (KOWWIN v1.68 estimate) = 4.22

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

Boiling Pt (deg C): 216.85 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.23 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 30.7 (Mean VP of Antoine & Grain methods)

MP (exp database): -80 deg C

BP (exp database): 114 @ 0.75 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 20.28

log Kow used: 4.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 96.832 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

SHOULD NOT BE PROFILED

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

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: 2.122E-003 atm-m3/mole (2.150E+002 Pa-m3/mole)

VP: 0.23 mm Hg (source: MPBPVP)

WS: 20.3 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):

Biowin1 (Linear Model) : 0.6798

Biowin2 (Non-Linear Model) : 0.7289

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8849 (weeks )

Biowin4 (Primary Survey Model) : 3.6425 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2882

Biowin6 (MITI Non-Linear Model): 0.3009

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2381

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): 28.5 Pa (0.214 mm Hg)

Log Koa (): not available

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

Mackay model : 1.05E-007

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.8E-006

Mackay model : 8.41E-006

Octanol/air (Koa) model: not available

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.4179 E-12 cm3/molecule-sec

Half-Life = 0.376 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.517 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.1E-006 (Junge-Pankow, Mackay avg)

not available (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 563.2 L/kg (MCI method)

Log Koc: 2.751 (MCI method)

Koc : 4593 L/kg (Kow method)

Log Koc: 3.662 (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 = 2.453 (BCF = 284.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0425 days (HL = 1.103 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.565 (BCF = 367.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.565 (BAF = 367.5)

log Kow used: 4.22 (estimated)

Volatilization from Water:

Henry LC: 0.00212 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 1.546 hours

Half-Life from Model Lake : 116.9 hours (4.869 days)

Removal In Wastewater Treatment:

Total removal: 63.66 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 34.07 percent

Total to Air: 29.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.5 9.03 1000

Water 23.2 360 1000

Soil 73.8 720 1000

Sediment 0.504 3.24e+003 0

Persistence Time: 281 hr

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