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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