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CAS Number: 6843-97-6


CHEM : Glycine, N- 2- 2-(dodecylamino)ethyl amino ethyl -

MOL FOR: C18 H39 N3 O2

MOL WT : 329.53

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 1.43

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

Boiling Pt (deg C): 595.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 320.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.42E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 5.89E-012 (Modified Grain method)

Subcooled liquid VP: 9.58E-011 mm Hg (25 deg C, Mod-Grain method)

: 1.28E-008 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 4.188

log Kow used: 1.43 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 392.31 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines-acid

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

Bond Method : 5.01E-015 atm-m3/mole (5.08E-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: 4.576E-015 atm-m3/mole (4.637E-010 Pa-m3/mole)

VP: 4.42E-014 mm Hg (source: MPBPVP)

WS: 4.19 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.43 (KowWin est)

Log Kaw used: -12.689 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.119

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2333

Biowin2 (Non-Linear Model) : 0.9844

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2072 (weeks )

Biowin4 (Primary Survey Model) : 4.1568 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8039

Biowin6 (MITI Non-Linear Model): 0.5461

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.5733

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): 1.28E-008 Pa (9.58E-011 mm Hg)

Log Koa (Koawin est ): 14.119

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

Mackay model : 235

Octanol/air (Koa) model: 32.3

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 = 263.4883 E-12 cm3/molecule-sec

Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 29.228 Min

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 : 3746 L/kg (MCI method)

Log Koc: 3.574 (MCI method)

Koc : 6.546 L/kg (Kow method)

Log Koc: 0.816 (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 v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3248 days (HL = 2.112 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.573 (BCF = 3.742)

Log BAF Arnot-Gobas method (upper trophic) = 0.573 (BAF = 3.742)

log Kow used: 1.43 (estimated)

Volatilization from Water:

Henry LC: 5.01E-015 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.121E+011 hours (8.839E+009 days)

Half-Life from Model Lake : 2.314E+012 hours (9.643E+010 days)

Removal In Wastewater Treatment:

Total removal: 1.95 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.86 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 0.00203 0.974 1000

Water 15.9 360 1000

Soil 82.3 720 1000

Sediment 1.86 3.24e+003 0

Persistence Time: 784 hr

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