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CAS Number: 38079-62-8

SMILES : [Na]OC(=O)CCC(C(=O)O[Na])NC(=O)CCCCCCCCCCCCCCCCC

CHEM : L-Glutamic acid, N-(1-oxooctadecyl)-, disodium salt

MOL FOR: C23 H41 N1 O5 Na2

MOL WT : 457.57

------------------------------ 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) = 1.23

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

Boiling Pt (deg C): 735.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 322.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.98E-018 (Modified Grain method)

VP (Pa, 25 deg C) : 1.06E-015 (Modified Grain method)

Subcooled liquid VP: 1.82E-014 mm Hg (25 deg C, Mod-Grain method)

: 2.43E-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): 118.4

log Kow used: 1.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.027423 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

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

Bond Method : 4.48E-015 atm-m3/mole (4.54E-010 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: 4.058E-020 atm-m3/mole (4.112E-015 Pa-m3/mole)

VP: 7.98E-018 mm Hg (source: MPBPVP)

WS: 118 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.23 (KowWin est)

Log Kaw used: -12.737 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.967

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0146

Biowin2 (Non-Linear Model) : 0.9506

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2585 (days-weeks )

Biowin4 (Primary Survey Model) : 4.4966 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8099

Biowin6 (MITI Non-Linear Model): 0.8008

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5464

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): 2.43E-012 Pa (1.82E-014 mm Hg)

Log Koa (Koawin est ): 13.967

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

Mackay model : 1.24E+006

Octanol/air (Koa) model: 22.8

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 = 35.3298 E-12 cm3/molecule-sec

Half-Life = 0.303 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.633 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 : 1.038E+005 L/kg (MCI method)

Log Koc: 5.016 (MCI method)

Koc : 6.464 L/kg (Kow method)

Log Koc: 0.810 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8117 days (HL = 0.1543 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.636 (BCF = 43.27)

Log BAF Arnot-Gobas method (upper trophic) = 1.638 (BAF = 43.41)

log Kow used: 6.41 (estimated)

Volatilization from Water:

Henry LC: 4.48E-015 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.796E+011 hours (1.165E+010 days)

Half-Life from Model Lake : 3.05E+012 hours (1.271E+011 days)

Removal In Wastewater Treatment:

Total removal: 1.91 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.82 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 0.557 7.26 1000

Water 16 208 1000

Soil 57 416 1000

Sediment 26.4 1.87e+003 0

Persistence Time: 429 hr

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