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CAS Number: 471-80-7


CHEM : steviol

MOL FOR: C20 H30 O3

MOL WT : 318.46

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

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 v1.67 estimate) = 4.97

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

Boiling Pt (deg C): 417.58 (Adapted Stein & Brown method)

Melting Pt (deg C): 174.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.6E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 2.14E-007 (Modified Grain method)

Subcooled liquid VP: 5.62E-008 mm Hg (25 deg C, Mod-Grain method)

: 7.49E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.359

log Kow used: 4.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.0618 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols-acid

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

Bond Method : 1.09E-010 atm-m3/mole (1.11E-005 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: 1.538E-010 atm-m3/mole (1.558E-005 Pa-m3/mole)

VP: 1.6E-009 mm Hg (source: MPBPVP)

WS: 4.36 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.97 (KowWin est)

Log Kaw used: -8.351 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 13.321

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0671

Biowin2 (Non-Linear Model) : 0.0004

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.0115 (months )

Biowin4 (Primary Survey Model) : 3.1601 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4320

Biowin6 (MITI Non-Linear Model): 0.1222

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.6215

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): 7.49E-006 Pa (5.62E-008 mm Hg)

Log Koa (Koawin est ): 13.321

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

Mackay model : 0.4

Octanol/air (Koa) model: 5.14

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.935

Mackay model : 0.97

Octanol/air (Koa) model: 0.998

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.9877 E-12 cm3/molecule-sec

Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.689 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

0.953 (Junge-Pankow, Mackay avg)

0.998 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1644 L/kg (MCI method)

Log Koc: 3.216 (MCI method)

Koc : 311.4 L/kg (Kow method)

Log Koc: 2.493 (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) = 0.8032 days (HL = 6.356 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.294 (BCF = 1968)

Log BAF Arnot-Gobas method (upper trophic) = 3.360 (BAF = 2292)

log Kow used: 4.97 (estimated)

Volatilization from Water:

Henry LC: 1.09E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.586E+006 hours (3.994E+005 days)

Half-Life from Model Lake : 1.046E+008 hours (4.357E+006 days)

Removal In Wastewater Treatment:

Total removal: 76.73 percent

Total biodegradation: 0.67 percent

Total sludge adsorption: 76.06 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 0.00903 2.96 1000

Water 9.58 1.44e+003 1000

Soil 89.3 2.88e+003 1000

Sediment 1.07 1.3e+004 0

Persistence Time: 2.63e+003 hr

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