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CAS Number: 77-91-8

SMILES : OCCN(C)(C)(C)OC(=O)CC(O)(C(=O)O)CC(=O)O

CHEM : Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with 2-hydroxy-1,2,3-p

ropanetricarboxylic acid (1:1)

MOL FOR: C11 H21 N1 O8

MOL WT : 295.29

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

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -5.23

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

Boiling Pt (deg C): 623.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 270.36 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.62E-016 (Modified Grain method)

VP (Pa, 25 deg C) : 1.28E-013 (Modified Grain method)

MP (exp database): 106 deg C

Subcooled liquid VP: 5.97E-015 mm Hg (25 deg C, Mod-Grain method)

: 7.96E-013 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -5.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 2.09E-026 atm-m3/mole (2.12E-021 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: 3.738E-022 atm-m3/mole (3.787E-017 Pa-m3/mole)

VP: 9.62E-016 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -5.23 (KowWin est)

Log Kaw used: -24.068 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 18.838

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7271

Biowin2 (Non-Linear Model) : 0.3767

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2237 (weeks )

Biowin4 (Primary Survey Model) : 4.1689 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6144

Biowin6 (MITI Non-Linear Model): 0.4267

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4357

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): 7.96E-013 Pa (5.97E-015 mm Hg)

Log Koa (Koawin est ): 18.838

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

Mackay model : 3.77E+006

Octanol/air (Koa) model: 1.69E+006

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 = 23.5814 E-12 cm3/molecule-sec

Half-Life = 0.454 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.443 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 : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 0.0001329 L/kg (Kow method)

Log Koc: -3.876 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.554E-001 L/mol-sec

Kb Half-Life at pH 8: 51.616 days

Kb Half-Life at pH 7: 1.413 years

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

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) = -2.6682 days (HL = 0.002147 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -5.23 (estimated)

Volatilization from Water:

Henry LC: 2.09E-026 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.814E+022 hours (2.006E+021 days)

Half-Life from Model Lake : 5.251E+023 hours (2.188E+022 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 1.56e-012 10.9 1000

Water 30.6 360 1000

Soil 69.4 720 1000

Sediment 0.0688 3.24e+003 0

Persistence Time: 640 hr

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