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CAS Number: 65104-36-1


CHEM : -Alanine, N-dodecyl-, compd. with 2,2 -iminobis[ethanol] (1:1)

MOL FOR: C19 H42 N2 O4

MOL WT : 362.56

------------------------------ 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) = 1.65

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

Boiling Pt (deg C): 619.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 268.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.75E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 2.33E-015 (Modified Grain method)

Subcooled liquid VP: 8.24E-015 mm Hg (25 deg C, Mod-Grain method)

: 1.1E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 2054

log Kow used: 1.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 140.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.38E-022 atm-m3/mole (1.40E-017 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: 4.064E-021 atm-m3/mole (4.118E-016 Pa-m3/mole)

VP: 1.75E-017 mm Hg (source: MPBPVP)

WS: 2.05E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.65 (KowWin est)

Log Kaw used: -20.249 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 21.899

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1547

Biowin2 (Non-Linear Model) : 0.9548

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0407 (weeks )

Biowin4 (Primary Survey Model) : 3.8959 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8203

Biowin6 (MITI Non-Linear Model): 0.7955

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8857

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): 1.1E-012 Pa (8.24E-015 mm Hg)

Log Koa (Koawin est ): 21.899

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

Mackay model : 2.73E+006

Octanol/air (Koa) model: 1.95E+009

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 = 128.4475 E-12 cm3/molecule-sec

Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.999 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 : 77.45 L/kg (MCI method)

Log Koc: 1.889 (MCI method)

Koc : 4.994 L/kg (Kow method)

Log Koc: 0.698 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 2.365E+000 L/mol-sec

Kb Half-Life at pH 8: 3.391 days

Kb Half-Life at pH 7: 33.914 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9848 days (HL = 0.1036 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.649 (BCF = 4.454)

Log BAF Arnot-Gobas method (upper trophic) = 0.649 (BAF = 4.454)

log Kow used: 1.65 (estimated)

Volatilization from Water:

Henry LC: 1.38E-022 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.078E+018 hours (3.366E+017 days)

Half-Life from Model Lake : 8.813E+019 hours (3.672E+018 days)

Removal In Wastewater Treatment:

Total removal: 2.03 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.93 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 5.15e-007 2 1000

Water 20.2 360 1000

Soil 79.7 720 1000

Sediment 0.1 3.24e+003 0

Persistence Time: 737 hr

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