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CAS Number: 38517-23-6

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

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

MOL FOR: C23 H42 N1 O5 Na1

MOL WT : 435.58

------------------------------ 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) = 3.19

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

Boiling Pt (deg C): 796.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.15E-020 (Modified Grain method)

VP (Pa, 25 deg C) : 1.09E-017 (Modified Grain method)

Subcooled liquid VP: 4.18E-016 mm Hg (25 deg C, Mod-Grain method)

: 5.57E-014 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.486

log Kow used: 3.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.10514 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides -acid

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

Bond Method : 4.46E-015 atm-m3/mole (4.52E-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: 1.340E-020 atm-m3/mole (1.358E-015 Pa-m3/mole)

VP: 8.15E-020 mm Hg (source: MPBPVP)

WS: 3.49 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.19 (KowWin est)

Log Kaw used: -12.739 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.929

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): 5.57E-014 Pa (4.18E-016 mm Hg)

Log Koa (Koawin est ): 15.929

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

Mackay model : 5.38E+007

Octanol/air (Koa) model: 2.08E+003

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 = 40.1545 E-12 cm3/molecule-sec

Half-Life = 0.266 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.196 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 : 1.038E+005 L/kg (MCI method)

Log Koc: 5.016 (MCI method)

Koc : 78.46 L/kg (Kow method)

Log Koc: 1.895 (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) = -0.3751 days (HL = 0.4216 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.066 (BCF = 116.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.076 (BAF = 119)

log Kow used: 6.41 (estimated)

Volatilization from Water:

Henry LC: 4.46E-015 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.74E+011 hours (1.142E+010 days)

Half-Life from Model Lake : 2.989E+012 hours (1.245E+011 days)

Removal In Wastewater Treatment:

Total removal: 7.67 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.53 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 0.534 6.39 1000

Water 16.3 208 1000

Soil 56.3 416 1000

Sediment 26.8 1.87e+003 0

Persistence Time: 420 hr

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