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CAS Num: 005064-31-3

SMILES : [Na]OC(=O)CN(CC(=O)(O[Na]))CC(=O)(O[Na])

CHEM : Glycine, N,N-bis(carboxymethyl)-, trisodium salt

MOL FOR: C6 H6 N1 O6 Na3

MOL WT : 257.09

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -10.08

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

Boiling Pt (deg C): 487.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 199.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.08E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.08E-007 (Modified Grain method)

Subcooled liquid VP: 5.59E-008 mm Hg (25 deg C, Mod-Grain method)

: 7.45E-006 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -10.08 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

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

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.21E-016 atm-m3/mole (1.22E-011 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: 2.733E-016 atm-m3/mole (2.769E-011 Pa-m3/mole)

VP: 8.08E-010 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: -10.08 (KowWin est)

Log Kaw used: -14.306 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.226

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6694

Biowin2 (Non-Linear Model) : 0.5002

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.6158 (days-weeks )

Biowin4 (Primary Survey Model) : 4.4407 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7504

Biowin6 (MITI Non-Linear Model): 0.7027

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3995

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): 7.45E-006 Pa (5.59E-008 mm Hg)

Log Koa (Koawin est ): 4.226

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

Mackay model : 0.403

Octanol/air (Koa) model: 4.13E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.936

Mackay model : 0.97

Octanol/air (Koa) model: 3.3E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.0782 E-12 cm3/molecule-sec

Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.733 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.953 (Junge-Pankow, Mackay avg)

3.3E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 26.27 L/kg (MCI method)

Log Koc: 1.419 (MCI method)

Koc : 3.272E-006 L/kg (Kow method)

Log Koc: -5.485 (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 v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -4.0773 days (HL = 8.37e-005 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: -3.81 (estimated)

Volatilization from Water:

Henry LC: 1.21E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.758E+012 hours (3.233E+011 days)

Half-Life from Model Lake : 8.464E+013 hours (3.527E+012 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 8.38e-008 3.47 1000

Water 24.3 208 1000

Soil 75.7 416 1000

Sediment 0.0653 1.87e+003 0

Persistence Time: 433 hr

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