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CAS Number: 29923-31-7


CHEM : L-Glutamic acid, N-(1-oxododecyl)-, monosodium salt

MOL FOR: C17 H30 N1 O5 Na1

MOL WT : 351.42

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

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 v1.67 estimate) = 0.24

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

Boiling Pt (deg C): 726.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 318.39 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.61E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 2.15E-015 (Modified Grain method)

Subcooled liquid VP: 3.24E-014 mm Hg (25 deg C, Mod-Grain method)

: 4.33E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3786

log Kow used: 0.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 141.46 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides -acid

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

Bond Method : 8.15E-016 atm-m3/mole (8.26E-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: 1.966E-021 atm-m3/mole (1.992E-016 Pa-m3/mole)

VP: 1.61E-017 mm Hg (source: MPBPVP)

WS: 3.79E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.24 (KowWin est)

Log Kaw used: -13.477 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.717

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0547

Biowin2 (Non-Linear Model) : 0.9845

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4445 (days-weeks )

Biowin4 (Primary Survey Model) : 4.6181 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7637

Biowin6 (MITI Non-Linear Model): 0.7762

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3905

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): 4.32E-012 Pa (3.24E-014 mm Hg)

Log Koa (Koawin est ): 13.717

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

Mackay model : 6.94E+005

Octanol/air (Koa) model: 12.8

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.999

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 31.6762 E-12 cm3/molecule-sec

Half-Life = 0.338 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.052 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.999 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2833 L/kg (MCI method)

Log Koc: 3.452 (MCI method)

Koc : 1.832 L/kg (Kow method)

Log Koc: 0.263 (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) = -1.2100 days (HL = 0.06166 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.388 (BCF = 24.45)

Log BAF Arnot-Gobas method (upper trophic) = 1.388 (BAF = 24.45)

log Kow used: 3.46 (estimated)

Volatilization from Water:

Henry LC: 8.15E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.347E+012 hours (5.611E+010 days)

Half-Life from Model Lake : 1.469E+013 hours (6.121E+011 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 0.544 8.1 1000

Water 22 208 1000

Soil 76.2 416 1000

Sediment 1.29 1.87e+003 0

Persistence Time: 364 hr

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