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CAS Number: 34395-72-7


CHEM : Glycine, N-[3-(dodecylamino)propyl]-

MOL FOR: C17 H36 N2 O2

MOL WT : 300.49

------------------------------ 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) = 2.44

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

Boiling Pt (deg C): 562.35 (Adapted Stein & Brown method)

Melting Pt (deg C): 316.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.73E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 4.97E-011 (Modified Grain method)

Subcooled liquid VP: 7E-010 mm Hg (25 deg C, Mod-Grain method)

: 9.33E-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): 0.861

log Kow used: 2.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.0132 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 : 2.22E-011 atm-m3/mole (2.25E-006 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: 1.713E-013 atm-m3/mole (1.736E-008 Pa-m3/mole)

VP: 3.73E-013 mm Hg (source: MPBPVP)

WS: 0.861 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.44 (KowWin est)

Log Kaw used: -9.042 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.482

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0933

Biowin2 (Non-Linear Model) : 0.9692

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2470 (weeks )

Biowin4 (Primary Survey Model) : 4.1554 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8076

Biowin6 (MITI Non-Linear Model): 0.7065

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.3700

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): 9.33E-008 Pa (7E-010 mm Hg)

Log Koa (Koawin est ): 11.482

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

Mackay model : 32.1

Octanol/air (Koa) model: 0.0745

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 0.856

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 180.5333 E-12 cm3/molecule-sec

Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.711 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

0.856 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3005 L/kg (MCI method)

Log Koc: 3.478 (MCI method)

Koc : 26.19 L/kg (Kow method)

Log Koc: 1.418 (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) = 0.2772 days (HL = 1.893 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.459 (BCF = 28.76)

Log BAF Arnot-Gobas method (upper trophic) = 1.459 (BAF = 28.76)

log Kow used: 2.44 (estimated)

Volatilization from Water:

Henry LC: 2.22E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.572E+007 hours (1.905E+006 days)

Half-Life from Model Lake : 4.987E+008 hours (2.078E+007 days)

Removal In Wastewater Treatment:

Total removal: 2.94 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.84 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 0.117 1.42 1000

Water 22.7 360 1000

Soil 75.1 720 1000

Sediment 2.16 3.24e+003 0

Persistence Time: 507 hr

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