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CAS Number: 553-91-3
SMILES : O([Li])C(=O)C(=O)O([Li])
CHEM : Ethanedioic acid, dilithium salt
MOL FOR: C2 O4 Li2
MOL WT : 101.90
------------------------------ 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) = -7.00
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 402.82 (Adapted Stein & Brown method)
Melting Pt (deg C): 139.88 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 4.92E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 6.56E-005 (Modified Grain method)
Subcooled liquid VP: 7.1E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000946 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -7.00 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 6.67e+004 mg/L ( deg C)
Exper. Ref: MERCK INDEX (1996)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 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: 6.597E-014 atm-m3/mole (6.684E-009 Pa-m3/mole)
VP: 4.92E-007 mm Hg (source: MPBPVP)
WS: 1E+006 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) : 0.8233
Biowin2 (Non-Linear Model) : 0.9019
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.6053 (days-weeks )
Biowin4 (Primary Survey Model) : 4.4079 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6395
Biowin6 (MITI Non-Linear Model): 0.6397
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2096
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): 0.000947 Pa (7.1E-006 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00317
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.103
Mackay model : 0.202
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
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):
0.152 (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 : 2.252 L/kg (MCI method)
Log Koc: 0.353 (MCI method)
Koc : 0.0001922 L/kg (Kow method)
Log Koc: -3.716 (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) = -2.3321 days (HL = 0.004655 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8934)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8934)
log Kow used: -1.74 (estimated)
Volatilization from Water:
Henry LC: 6.6E-014 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 8.959E+009 hours (3.733E+008 days)
Half-Life from Model Lake : 9.774E+010 hours (4.072E+009 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 2.58e-006 1e+005 1000
Water 32.4 208 1000
Soil 67.5 416 1000
Sediment 0.0589 1.87e+003 0
Persistence Time: 396 hr