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CAS Number: 58543-16-1

SMILES : CC12CCCC(C1CCC34C2CC(C(C3)C(=C)C4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO

)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)CO)O)O)O

CHEM : rebaudioside A

MOL FOR: C44 H70 O23

MOL WT : 967.03

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

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 v1.67 estimate) = -3.93

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

Boiling Pt (deg C): 1252.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.33E-042 (Modified Grain method)

VP (Pa, 25 deg C) : 4.44E-040 (Modified Grain method)

Subcooled liquid VP: 1.7E-038 mm Hg (25 deg C, Mod-Grain method)

: 2.27E-036 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1253

log Kow used: -3.93 (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:

Esters

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

Bond Method : 4.88E-040 atm-m3/mole (4.95E-035 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: 1.015E-033 atm-m3/mole (1.029E-028 Pa-m3/mole)

VP: 1E-030 mm Hg (source: MPBPVP)

WS: 1.25E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: -3.93 (KowWin est)

Log Kaw used: -37.700 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 33.770

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2997

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7449 (weeks-months)

Biowin4 (Primary Survey Model) : 3.9653 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.3154

Biowin6 (MITI Non-Linear Model): 0.0004

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1523

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): 2.27E-036 Pa (1.7E-038 mm Hg)

Log Koa (Koawin est ): 33.770

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

Mackay model : 1.32E+030

Octanol/air (Koa) model: 1.45E+021

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 = 294.5251 E-12 cm3/molecule-sec

Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 26.148 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

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 : 1.195E+007 L/kg (MCI method)

Log Koc: 7.077 (MCI method)

Koc : 0.001693 L/kg (Kow method)

Log Koc: -2.771 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.657E-004 L/mol-sec

Kb Half-Life at pH 8: 82.659 years

Kb Half-Life at pH 7: 826.593 years

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

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) = -5.0689 days (HL = 8.532e-006 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: -3.93 (estimated)

Volatilization from Water:

Henry LC: 4.88E-040 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.731E+036 hours (1.555E+035 days)

Half-Life from Model Lake : 4.07E+037 hours (1.696E+036 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 0.0117 0.84 1000

Water 1.84 900 1000

Soil 28.9 1.8e+003 1000

Sediment 69.3 8.1e+003 0

Persistence Time: 3.18e+003 hr

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