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CAS Num: 010152-76-8


CHEM : 1-Propene, 3-(methylthio)-


MOL WT : 88.17

------------------------------ 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) = 1.76

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

Boiling Pt (deg C): 91.10 (Adapted Stein & Brown method)

Melting Pt (deg C): -83.08 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 52.7 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7.03E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 92 deg C

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

Water Solubility at 25 deg C (mg/L): 3910

log Kow used: 1.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2474.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.03E-003 atm-m3/mole (1.05E+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: 1.564E-003 atm-m3/mole (1.584E+002 Pa-m3/mole)

VP: 52.7 mm Hg (source: MPBPVP)

WS: 3.91E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.76 (KowWin est)

Log Kaw used: -1.376 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.136

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7056

Biowin2 (Non-Linear Model) : 0.8528

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0043 (weeks )

Biowin4 (Primary Survey Model) : 3.7205 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5182

Biowin6 (MITI Non-Linear Model): 0.6259

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5619

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.5058

BioHC Half-Life (days) : 3.2045

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

Vapor pressure (liquid/subcooled): 6.72E+003 Pa (50.4 mm Hg)

Log Koa (Koawin est ): 3.136

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

Mackay model : 4.46E-010

Octanol/air (Koa) model: 3.36E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.61E-008

Mackay model : 3.57E-008

Octanol/air (Koa) model: 2.69E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.3460 E-12 cm3/molecule-sec

Half-Life = 0.294 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.531 Hrs

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

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

2.59E-008 (Junge-Pankow, Mackay avg)

2.69E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 72.17 L/kg (MCI method)

Log Koc: 1.858 (MCI method)

Koc : 33.66 L/kg (Kow method)

Log Koc: 1.527 (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 = 0.831 (BCF = 6.784 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6549 days (HL = 0.2214 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.791 (BCF = 6.174)

Log BAF Arnot-Gobas method (upper trophic) = 0.791 (BAF = 6.174)

log Kow used: 1.76 (estimated)

Volatilization from Water:

Henry LC: 0.00103 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.492 hours

Half-Life from Model Lake : 95.01 hours (3.959 days)

Removal In Wastewater Treatment:

Total removal: 31.44 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 1.50 percent

Total to Air: 29.86 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.77 5.4 1000

Water 38.8 360 1000

Soil 58.3 720 1000

Sediment 0.185 3.24e+003 0

Persistence Time: 181 hr

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