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CAS Number: 137-16-6


CHEM : Glycine, N-methyl-N-(1-oxododecyl)-, sodium salt

MOL FOR: C15 H28 N1 O3 Na1

MOL WT : 293.39

------------------------------ 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) = 0.37

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

Boiling Pt (deg C): 598.92 (Adapted Stein & Brown method)

Melting Pt (deg C): 258.81 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.19E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 2.93E-011 (Modified Grain method)

Subcooled liquid VP: 7.87E-011 mm Hg (25 deg C, Mod-Grain method)

: 1.05E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6490

log Kow used: 0.37 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 29.131 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.37E-010 atm-m3/mole (1.38E-005 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: 1.303E-017 atm-m3/mole (1.320E-012 Pa-m3/mole)

VP: 2.19E-013 mm Hg (source: MPBPVP)

WS: 6.49E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.37 (KowWin est)

Log Kaw used: -8.252 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.622

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0096

Biowin2 (Non-Linear Model) : 0.9870

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2081 (weeks )

Biowin4 (Primary Survey Model) : 4.3162 (hours-days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7569

Biowin6 (MITI Non-Linear Model): 0.8137

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2640

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): 1.05E-008 Pa (7.87E-011 mm Hg)

Log Koa (Koawin est ): 8.622

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

Mackay model : 286

Octanol/air (Koa) model: 0.000103

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.00816

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.2942 E-12 cm3/molecule-sec

Half-Life = 0.321 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.855 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.00816 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 178.8 L/kg (MCI method)

Log Koc: 2.252 (MCI method)

Koc : 2.056 L/kg (Kow method)

Log Koc: 0.313 (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) = -0.8342 days (HL = 0.1465 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.779 (BCF = 60.08)

Log BAF Arnot-Gobas method (upper trophic) = 1.779 (BAF = 60.08)

log Kow used: 4.10 (estimated)

Volatilization from Water:

Henry LC: 1.37E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.32E+006 hours (3.05E+005 days)

Half-Life from Model Lake : 7.986E+007 hours (3.327E+006 days)

Removal In Wastewater Treatment:

Total removal: 1.86 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 0.486 7.71 1000

Water 23.6 360 1000

Soil 75.7 720 1000

Sediment 0.207 3.24e+003 0

Persistence Time: 525 hr

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