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CAS Num: 000533-96-0

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

CHEM : SODIUM SESQUICARBONATE

MOL FOR: C1 O3 Na2

MOL WT : 105.99

------------------------------ 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) = -6.19

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

Boiling Pt (deg C): 402.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 139.88 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.92E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 1.32E-014 (Modified Grain method)

MP (exp database): 851 deg C

Subcooled liquid VP: 7.1E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000946 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: -6.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.3901e+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 : 6.10E-009 atm-m3/mole (6.18E-004 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: 1.383E-023 atm-m3/mole (1.402E-018 Pa-m3/mole)

VP: 9.92E-017 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: -6.19 (KowWin est)

Log Kaw used: -6.603 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 0.413

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7180

Biowin2 (Non-Linear Model) : 0.8936

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0621 (weeks )

Biowin4 (Primary Survey Model) : 3.7582 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5276

Biowin6 (MITI Non-Linear Model): 0.6759

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

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): 0.000947 Pa (7.1E-006 mm Hg)

Log Koa (Koawin est ): 0.413

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

Mackay model : 0.00317

Octanol/air (Koa) model: 6.35E-013

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.103

Mackay model : 0.202

Octanol/air (Koa) model: 5.08E-011

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec

Half-Life = -------

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.152 (Junge-Pankow, Mackay avg)

5.08E-011 (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 : 0.0005393 L/kg (Kow method)

Log Koc: -3.268 (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 v3.00):

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

Log Biotransformation Half-life (HL) = -1.9504 days (HL = 0.01121 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9044)

Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9044)

log Kow used: -0.46 (estimated)

Volatilization from Water:

Henry LC: 6.1E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.881E+004 hours (4117 days)

Half-Life from Model Lake : 1.078E+006 hours (4.492E+004 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 1.58 1e+005 1000

Water 38.6 360 1000

Soil 59.8 720 1000

Sediment 0.0722 3.24e+003 0

Persistence Time: 537 hr

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