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CAS Number: 258823-39-1


CHEM : 2-methyl-2-sulfanylpentan-1-ol

MOL FOR: C6 H14 O1 S1

MOL WT : 134.24

------------------------------ 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) = 1.66

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

Boiling Pt (deg C): 209.85 (Adapted Stein & Brown method)

Melting Pt (deg C): -3.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0406 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.41 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3409

log Kow used: 1.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5756.9 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 : 3.94E-007 atm-m3/mole (3.99E-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: 2.104E-006 atm-m3/mole (2.131E-001 Pa-m3/mole)

VP: 0.0406 mm Hg (source: MPBPVP)

WS: 3.41E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.66 (KowWin est)

Log Kaw used: -4.793 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.453

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6584

Biowin2 (Non-Linear Model) : 0.6218

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8504 (weeks )

Biowin4 (Primary Survey Model) : 3.6301 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6906

Biowin6 (MITI Non-Linear Model): 0.7991

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5534

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): 4.89 Pa (0.0367 mm Hg)

Log Koa (Koawin est ): 6.453

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

Mackay model : 6.13E-007

Octanol/air (Koa) model: 6.97E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.21E-005

Mackay model : 4.9E-005

Octanol/air (Koa) model: 5.57E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 39.5573 E-12 cm3/molecule-sec

Half-Life = 0.270 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.245 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.56E-005 (Junge-Pankow, Mackay avg)

5.57E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 14.78 L/kg (MCI method)

Log Koc: 1.170 (MCI method)

Koc : 27.03 L/kg (Kow method)

Log Koc: 1.432 (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 = 0.759 (BCF = 5.748 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1696 days (HL = 0.06767 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.607 (BCF = 4.044)

Log BAF Arnot-Gobas method (upper trophic) = 0.607 (BAF = 4.044)

log Kow used: 1.66 (estimated)

Volatilization from Water:

Henry LC: 3.94E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1723 hours (71.79 days)

Half-Life from Model Lake : 1.889E+004 hours (787.2 days)

Removal In Wastewater Treatment:

Total removal: 2.05 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.94 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.711 6.49 1000

Water 37 360 1000

Soil 62.2 720 1000

Sediment 0.0906 3.24e+003 0

Persistence Time: 398 hr

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