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CAS Number: 142-73-4

SMILES : O=C(O)CNCC(=O)O

CHEM : Glycine, N-(carboxymethyl)-

MOL FOR: C4 H7 N1 O4

MOL WT : 133.10

------------------------------ 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) = -3.27

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

Boiling Pt (deg C): 345.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 206.20 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.42E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 8.56E-005 (Modified Grain method)

MP (exp database): 247.5 deg C

Subcooled liquid VP: 0.000167 mm Hg (25 deg C, Mod-Grain method)

: 0.0223 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.758e+005

log Kow used: -3.27 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 2.37e+004 mg/L (5 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.8624e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines-acid

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

Bond Method : 3.66E-013 atm-m3/mole (3.71E-008 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: 2.363E-013 atm-m3/mole (2.394E-008 Pa-m3/mole)

VP: 6.42E-007 mm Hg (source: MPBPVP)

WS: 4.76E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -3.27 (KowWin est)

Log Kaw used: -10.825 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.555

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9834

Biowin2 (Non-Linear Model) : 0.9711

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.6587 (days-weeks )

Biowin4 (Primary Survey Model) : 4.4701 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8106

Biowin6 (MITI Non-Linear Model): 0.8215

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.4389

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): 0.0223 Pa (0.000167 mm Hg)

Log Koa (Koawin est ): 7.555

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

Mackay model : 0.000135

Octanol/air (Koa) model: 8.81E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00484

Mackay model : 0.0107

Octanol/air (Koa) model: 0.000704

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 77.0693 E-12 cm3/molecule-sec

Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.665 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00775 (Junge-Pankow, Mackay avg)

0.000704 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.015 L/kg (MCI method)

Log Koc: 0.700 (MCI method)

Koc : 0.02011 L/kg (Kow method)

Log Koc: -1.697 (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) = -1.6690 days (HL = 0.02143 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: -3.27 (estimated)

Volatilization from Water:

Henry LC: 3.66E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.846E+009 hours (7.69E+007 days)

Half-Life from Model Lake : 2.013E+010 hours (8.389E+008 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 1.27e-005 3.33 1000

Water 30.5 208 1000

Soil 69.4 416 1000

Sediment 0.0586 1.87e+003 0

Persistence Time: 404 hr

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