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CAS Number: 68929-04-4


CHEM : 1H-Imidazolium, 1-[2-(2-carboxyethoxy)ethyl]-1-(2-carboxyethyl)-4,5-d

ihydro-2-undecyl-, hydroxide, disodium salt

MOL FOR: C22 H41 N2 O6 Na1

MOL WT : 452.57

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

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -0.75

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

Boiling Pt (deg C): 944.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.37E-028 (Modified Grain method)

VP (Pa, 25 deg C) : 1.83E-026 (Modified Grain method)

Subcooled liquid VP: 7.03E-025 mm Hg (25 deg C, Mod-Grain method)

: 9.37E-023 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.563e+004

log Kow used: -0.75 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.045116 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 4.34E-028 atm-m3/mole (4.40E-023 Pa-m3/mole)

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: 5.220E-033 atm-m3/mole (5.289E-028 Pa-m3/mole)

VP: 1.37E-028 mm Hg (source: MPBPVP)

WS: 1.56E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -0.75 (KowWin est)

Log Kaw used: -25.751 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 25.001

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4490

Biowin2 (Non-Linear Model) : 0.0321

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2665 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2570 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6162

Biowin6 (MITI Non-Linear Model): 0.4692

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2932

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): 9.37E-023 Pa (7.03E-025 mm Hg)

Log Koa (Koawin est ): 25.001

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

Mackay model : 3.2E+016

Octanol/air (Koa) model: 2.46E+012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 80.0358 E-12 cm3/molecule-sec

Half-Life = 0.134 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.604 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.115E+004 L/kg (MCI method)

Log Koc: 4.709 (MCI method)

Koc : 0.3657 L/kg (Kow method)

Log Koc: -0.437 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7219 days (HL = 0.1897 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.337 (BCF = 21.73)

Log BAF Arnot-Gobas method (upper trophic) = 1.337 (BAF = 21.73)

log Kow used: 2.47 (estimated)

Volatilization from Water:

Henry LC: 4.34E-028 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.87E+024 hours (1.196E+023 days)

Half-Life from Model Lake : 3.131E+025 hours (1.305E+024 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0402 3.21 1000

Water 15.5 208 1000

Soil 70.9 416 1000

Sediment 13.5 1.87e+003 0

Persistence Time: 501 hr

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