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CAS Number: 20824-56-0

SMILES : OC(=O)CN(CC(=O)ON(H)(H)(H)(H))CCN(CC(=O)O)CC(=O)ON(H)(H)(H)(H)

CHEM : Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, diammonium salt

MOL FOR: C10 H22 N4 O8

MOL WT : 326.31

------------------------------ 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) = -7.01

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

Boiling Pt (deg C): 779.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 347.77 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.44E-019 (Modified Grain method)

VP (Pa, 25 deg C) : 3.25E-017 (Modified Grain method)

Subcooled liquid VP: 1.17E-015 mm Hg (25 deg C, Mod-Grain method)

: 1.57E-013 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: -7.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines-acid

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

Bond Method : 2.69E-034 atm-m3/mole (2.73E-029 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: 1.048E-025 atm-m3/mole (1.062E-020 Pa-m3/mole)

VP: 2.44E-019 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -7.01 (KowWin est)

Log Kaw used: -31.959 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 24.949

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3271

Biowin2 (Non-Linear Model) : 0.0083

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6977 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5721 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2213

Biowin6 (MITI Non-Linear Model): 0.0301

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.2218

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): 1.56E-013 Pa (1.17E-015 mm Hg)

Log Koa (Koawin est ): 24.949

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

Mackay model : 1.92E+007

Octanol/air (Koa) model: 2.18E+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 = 172.8228 E-12 cm3/molecule-sec

Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.743 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 : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 4.887E-005 L/kg (Kow method)

Log Koc: -4.311 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 4.666E+001 L/mol-sec

Kb Half-Life at pH 8: 4.126 hours

Kb Half-Life at pH 7: 1.719 days

(Total Kb applies only to esters, carbmates, alkyl halides)

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) = -5.1881 days (HL = 6.485e-006 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -7.01 (estimated)

Volatilization from Water:

Henry LC: 2.69E-034 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.932E+030 hours (1.638E+029 days)

Half-Life from Model Lake : 4.289E+031 hours (1.787E+030 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 7.56e-018 1.49 1000

Water 35 900 1000

Soil 64.9 1.8e+003 1000

Sediment 0.0835 8.1e+003 0

Persistence Time: 1.15e+003 hr

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