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CAS Number: 515-98-0

SMILES : CC(O)C(=O)ON(H)(H)(H)H

CHEM : Propanoic acid, 2-hydroxy-, monoammonium salt

MOL FOR: C3 H9 N1 O3

MOL WT : 107.11

------------------------------ 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) = -3.84

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

Boiling Pt (deg C): 360.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 136.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.05E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 2.73E-005 (Modified Grain method)

Subcooled liquid VP: 2.69E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000359 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: -3.84 (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

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

Bond Method : 5.45E-016 atm-m3/mole (5.52E-011 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: 2.889E-014 atm-m3/mole (2.927E-009 Pa-m3/mole)

VP: 2.05E-007 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: -3.84 (KowWin est)

Log Kaw used: -13.652 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.812

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8553

Biowin2 (Non-Linear Model) : 0.9312

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1224 (weeks )

Biowin4 (Primary Survey Model) : 3.8227 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4951

Biowin6 (MITI Non-Linear Model): 0.6485

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2857

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.000359 Pa (2.69E-006 mm Hg)

Log Koa (Koawin est ): 9.812

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

Mackay model : 0.00836

Octanol/air (Koa) model: 0.00159

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.232

Mackay model : 0.401

Octanol/air (Koa) model: 0.113

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.4122 E-12 cm3/molecule-sec

Half-Life = 4.434 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 53.210 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.316 (Junge-Pankow, Mackay avg)

0.113 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 0.01447 L/kg (Kow method)

Log Koc: -1.840 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.540E+001 L/mol-sec

Kb Half-Life at pH 8: 4.240 hours

Kb Half-Life at pH 7: 1.767 days

(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) = -2.9984 days (HL = 0.001004 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: -3.84 (estimated)

Volatilization from Water:

Henry LC: 5.45E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.112E+012 hours (4.633E+010 days)

Half-Life from Model Lake : 1.213E+013 hours (5.054E+011 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 1.71e-008 106 1000

Water 37.7 360 1000

Soil 62.2 720 1000

Sediment 0.0706 3.24e+003 0

Persistence Time: 587 hr

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