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CAS Num: 000075-08-1


CHEM : Ethanethiol


MOL WT : 62.13

------------------------------ 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) = 1.27

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

Boiling Pt (deg C): 58.02 (Adapted Stein & Brown method)

Melting Pt (deg C): -102.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 520 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.94E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -147.8 deg C

BP (exp database): 35.1 deg C

VP (exp database): 5.29E+02 mm Hg (7.05E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1.134e+004

log Kow used: 1.27 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1.56e+004 mg/L (25 deg C)

Exper. Ref: WAKITA,K ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6266.7 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Thiols and Mercaptans

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

Bond Method : 3.47E-003 atm-m3/mole (3.52E+002 Pa-m3/mole)

Group Method: 2.94E-003 atm-m3/mole (2.98E+002 Pa-m3/mole)

Exper Database: 4.53E-03 atm-m3/mole (4.59E+002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 3.749E-003 atm-m3/mole (3.798E+002 Pa-m3/mole)

VP: 520 mm Hg (source: MPBPVP)

WS: 1.13E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.27 (KowWin est)

Log Kaw used: -0.732 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.002

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7180

Biowin2 (Non-Linear Model) : 0.8934

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0619 (weeks )

Biowin4 (Primary Survey Model) : 3.7581 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5771

Biowin6 (MITI Non-Linear Model): 0.7651

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7825

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): 7.05E+004 Pa (529 mm Hg)

Log Koa (Koawin est ): 2.002

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

Mackay model : 4.25E-011

Octanol/air (Koa) model: 2.47E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.54E-009

Mackay model : 3.4E-009

Octanol/air (Koa) model: 1.97E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 39.9525 E-12 cm3/molecule-sec

Half-Life = 0.268 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.213 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.47E-009 (Junge-Pankow, Mackay avg)

1.97E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 21.73 L/kg (MCI method)

Log Koc: 1.337 (MCI method)

Koc : 12.64 L/kg (Kow method)

Log Koc: 1.102 (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 = 0.503 (BCF = 3.185 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0376 days (HL = 0.09171 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.378 (BCF = 2.389)

Log BAF Arnot-Gobas method (upper trophic) = 0.378 (BAF = 2.389)

log Kow used: 1.27 (estimated)

Volatilization from Water:

Henry LC: 0.00453 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 0.9062 hours (54.37 min)

Half-Life from Model Lake : 75.98 hours (3.166 days)

Removal In Wastewater Treatment:

Total removal: 64.50 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 0.85 percent

Total to Air: 63.61 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.95 5.48 1000

Water 75.5 360 1000

Soil 17.3 720 1000

Sediment 0.207 3.24e+003 0

Persistence Time: 84.4 hr

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