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CAS Num: 068398-18-5


CHEM : 6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-

MOL FOR: C10 H18 S1

MOL WT : 170.32

------------------------------ 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) = 3.95

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

Boiling Pt (deg C): 209.10 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.191 (Modified Grain method)

VP (Pa, 25 deg C) : 25.5 (Modified Grain method)

Subcooled liquid VP: 0.21 mm Hg (25 deg C, Mod-Grain method)

: 28 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 25.98

log Kow used: 3.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18.28 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.47E-003 atm-m3/mole (1.49E+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: 1.648E-003 atm-m3/mole (1.669E+002 Pa-m3/mole)

VP: 0.191 mm Hg (source: MPBPVP)

WS: 26 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.95 (KowWin est)

Log Kaw used: -1.221 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.171

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4825

Biowin2 (Non-Linear Model) : 0.2436

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6107 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4486 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3708

Biowin6 (MITI Non-Linear Model): 0.1662

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0214

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.0633

BioHC Half-Life (days) : 115.6841

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

Vapor pressure (liquid/subcooled): 28 Pa (0.21 mm Hg)

Log Koa (Koawin est ): 5.171

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

Mackay model : 1.07E-007

Octanol/air (Koa) model: 3.64E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.87E-006

Mackay model : 8.57E-006

Octanol/air (Koa) model: 2.91E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.8294 E-12 cm3/molecule-sec

Half-Life = 0.414 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.969 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.22E-006 (Junge-Pankow, Mackay avg)

2.91E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1800 L/kg (MCI method)

Log Koc: 3.255 (MCI method)

Koc : 2678 L/kg (Kow method)

Log Koc: 3.428 (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 = 2.273 (BCF = 187.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6511 days (HL = 4.478 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.793 (BCF = 621.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.797 (BAF = 626.5)

log Kow used: 3.95 (estimated)

Volatilization from Water:

Henry LC: 0.00147 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.852 hours

Half-Life from Model Lake : 129.6 hours (5.401 days)

Removal In Wastewater Treatment:

Total removal: 51.86 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 23.54 percent

Total to Air: 28.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.04 9.94 1000

Water 11.8 900 1000

Soil 86 1.8e+003 1000

Sediment 1.19 8.1e+003 0

Persistence Time: 732 hr

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