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CAS Number: 97-78-9

SMILES : O=C(N(CC(=O)O)C)CCCCCCCCCCC

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

MOL FOR: C15 H29 N1 O3

MOL WT : 271.40

------------------------------ 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) = 4.10

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

Boiling Pt (deg C): 402.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 149.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.82E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 5.1E-005 (Modified Grain method)

Subcooled liquid VP: 7.04E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000939 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 5.659

log Kow used: 4.10 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 108.53 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides -acid

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

Bond Method : 1.36E-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: 2.411E-008 atm-m3/mole (2.443E-003 Pa-m3/mole)

VP: 3.82E-007 mm Hg (source: MPBPVP)

WS: 5.66 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.10 (KowWin est)

Log Kaw used: -8.255 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.355

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): 0.000939 Pa (7.04E-006 mm Hg)

Log Koa (Koawin est ): 12.355

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

Mackay model : 0.0032

Octanol/air (Koa) model: 0.556

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.103

Mackay model : 0.204

Octanol/air (Koa) model: 0.978

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.4991 E-12 cm3/molecule-sec

Half-Life = 0.301 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.616 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.154 (Junge-Pankow, Mackay avg)

0.978 (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 : 237.8 L/kg (Kow method)

Log Koc: 2.376 (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) = -0.3976 days (HL = 0.4003 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.178 (BCF = 150.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.178 (BAF = 150.7)

log Kow used: 4.10 (estimated)

Volatilization from Water:

Henry LC: 1.36E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.092E+006 hours (2.955E+005 days)

Half-Life from Model Lake : 7.737E+007 hours (3.224E+006 days)

Removal In Wastewater Treatment:

Total removal: 34.83 percent

Total biodegradation: 0.36 percent

Total sludge adsorption: 34.47 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 0.00276 7.23 1000

Water 18 360 1000

Soil 81.8 720 1000

Sediment 0.158 3.24e+003 0

Persistence Time: 759 hr

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