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CAS Num: 000292-46-6

SMILES : S(SCS1)SCS1

CHEM : 1,2,3,5,6-PENTATHIEPANE

MOL FOR: C2 H4 S5

MOL WT : 188.35

------------------------------ 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) = 2.31

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

Boiling Pt (deg C): 286.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 98.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00184 (Modified Grain method)

VP (Pa, 25 deg C) : 0.245 (Modified Grain method)

MP (exp database): 60.5 deg C

Subcooled liquid VP: 0.00394 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 532.7

log Kow used: 2.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 328.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.02E-005 atm-m3/mole (1.04E+000 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: 8.560E-007 atm-m3/mole (8.674E-002 Pa-m3/mole)

VP: 0.00184 mm Hg (source: MPBPVP)

WS: 533 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.31 (KowWin est)

Log Kaw used: -3.380 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.690

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6579

Biowin2 (Non-Linear Model) : 0.5827

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7829 (weeks )

Biowin4 (Primary Survey Model) : 3.5760 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1912

Biowin6 (MITI Non-Linear Model): 0.0803

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5961

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.9673

BioHC Half-Life (days) : 92.7465

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

Vapor pressure (liquid/subcooled): 0.525 Pa (0.00394 mm Hg)

Log Koa (Koawin est ): 5.690

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

Mackay model : 5.71E-006

Octanol/air (Koa) model: 1.2E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000206

Mackay model : 0.000457

Octanol/air (Koa) model: 9.62E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 788.6491 E-12 cm3/molecule-sec

Half-Life = 0.014 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.765 Min

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000331 (Junge-Pankow, Mackay avg)

9.62E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 265.7 L/kg (MCI method)

Log Koc: 2.424 (MCI method)

Koc : 101 L/kg (Kow method)

Log Koc: 2.004 (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 = 1.192 (BCF = 15.54 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1174 days (HL = 0.07631 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.073 (BCF = 11.84)

Log BAF Arnot-Gobas method (upper trophic) = 1.073 (BAF = 11.84)

log Kow used: 2.31 (estimated)

Volatilization from Water:

Henry LC: 1.02E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 80.18 hours (3.341 days)

Half-Life from Model Lake : 989.7 hours (41.24 days)

Removal In Wastewater Treatment:

Total removal: 3.21 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.55 percent

Total to Air: 0.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0367 0.325 1000

Water 25.7 360 1000

Soil 74 720 1000

Sediment 0.304 3.24e+003 0

Persistence Time: 445 hr

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