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CAS Num: 000127-09-3

SMILES : CC(=O)(O[Na])

CHEM : Acetic acid, sodium salt

MOL FOR: C2 H3 O2 Na1

MOL WT : 82.03

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -3.72

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

Boiling Pt (deg C): 392.35 (Adapted Stein & Brown method)

Melting Pt (deg C): 148.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.37E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 7.16E-007 (Modified Grain method)

MP (exp database): 324 deg C

Subcooled liquid VP: 1.27E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.0017 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

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

log Kow used: -3.72 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.6163e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.50E-007 atm-m3/mole (5.57E-002 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: 5.796E-016 atm-m3/mole (5.873E-011 Pa-m3/mole)

VP: 5.37E-009 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: -3.72 (KowWin est)

Log Kaw used: -4.648 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 0.928

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7916

Biowin2 (Non-Linear Model) : 0.9426

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.4311 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1467 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7151

Biowin6 (MITI Non-Linear Model): 0.8750

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9433

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): 0.00169 Pa (1.27E-005 mm Hg)

Log Koa (Koawin est ): 0.928

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

Mackay model : 0.00177

Octanol/air (Koa) model: 2.08E-012

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0601

Mackay model : 0.124

Octanol/air (Koa) model: 1.66E-010

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0422 E-12 cm3/molecule-sec

Half-Life = 253.700 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0921 (Junge-Pankow, Mackay avg)

1.66E-010 (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 : 0.01253 L/kg (Kow method)

Log Koc: -1.902 (Kow method)

Experimental Log Koc: 0 (database)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

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

Log Biotransformation Half-life (HL) = -1.5546 days (HL = 0.02789 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.031 (BCF = 0.931)

Log BAF Arnot-Gobas method (upper trophic) = -0.031 (BAF = 0.931)

log Kow used: -0.17 (expkow database)

Volatilization from Water:

Henry LC: 5.5E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 965.1 hours (40.21 days)

Half-Life from Model Lake : 1.06E+004 hours (441.8 days)

Removal In Wastewater Treatment:

Total removal: 1.88 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.73 6.09e+003 1000

Water 34.6 208 1000

Soil 62.7 416 1000

Sediment 0.0611 1.87e+003 0

Persistence Time: 355 hr

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