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CAS Number: 555-31-7
SMILES : [Al](OC(C)C)(OC(C)C)OC(C)C
CHEM : Aluminum isopropoxide
MOL FOR: C9 H21 O3 Al1
MOL WT : 204.25
------------------------------ 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):
Log Kow (KOWWIN v1.68 estimate) = 0.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 277.01 (Adapted Stein & Brown method)
Melting Pt (deg C): 70.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00133 (Modified Grain method)
VP (Pa, 25 deg C) : 0.177 (Modified Grain method)
MP (exp database): 119 deg C
BP (exp database): 135 @ 10 mm Hg deg C
Subcooled liquid VP: 0.0114 mm Hg (25 deg C, Mod-Grain method)
: 1.52 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6721
log Kow used: 0.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7.4126e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
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: 5.318E-008 atm-m3/mole (5.389E-003 Pa-m3/mole)
VP: 0.00133 mm Hg (source: MPBPVP)
WS: 6.72E+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):
Biowin1 (Linear Model) : 0.6503
Biowin2 (Non-Linear Model) : 0.5271
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7478 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5531 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0450
Biowin6 (MITI Non-Linear Model): 0.0278
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1389
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): 1.52 Pa (0.0114 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.97E-006
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.13E-005
Mackay model : 0.000158
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 36.5057 E-12 cm3/molecule-sec
Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.516 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000115 (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 : 4815 L/kg (MCI method)
Log Koc: 3.683 (MCI method)
Koc : 6.408 L/kg (Kow method)
Log Koc: 0.807 (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) = -0.8789 days (HL = 0.1322 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.216 (BCF = 1.644)
Log BAF Arnot-Gobas method (upper trophic) = 0.216 (BAF = 1.644)
log Kow used: 0.93 (estimated)
Volatilization from Water:
Henry LC: 5.32E-008 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.574E+004 hours (655.6 days)
Half-Life from Model Lake : 1.718E+005 hours (7157 days)
Removal In Wastewater Treatment:
Total removal: 1.88 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.79 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 0.158 7.03 1000
Water 14.3 900 1000
Soil 81.6 1.8e+003 1000
Sediment 3.97 8.1e+003 0
Persistence Time: 1.35e+003 hr