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CAS Number: 23838-23-5

SMILES : CC=CSSC=CC

CHEM :

MOL FOR: C6 H10 S2

MOL WT : 146.27

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 3.41

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

Boiling Pt (deg C): 212.50 (Adapted Stein & Brown method)

Melting Pt (deg C): -23.36 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.192 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 25.6 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 96.86

log Kow used: 3.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 154.97 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.34E-002 atm-m3/mole (2.38E+003 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: 3.815E-004 atm-m3/mole (3.866E+001 Pa-m3/mole)

VP: 0.192 mm Hg (source: MPBPVP)

WS: 96.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.41 (KowWin est)

Log Kaw used: -0.019 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.429

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6779

Biowin2 (Non-Linear Model) : 0.7174

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8759 (weeks )

Biowin4 (Primary Survey Model) : 3.6367 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3026

Biowin6 (MITI Non-Linear Model): 0.1760

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3828

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4022

BioHC Half-Life (days) : 2.5249

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

Vapor pressure (liquid/subcooled): 23.7 Pa (0.178 mm Hg)

Log Koa (Koawin est ): 3.429

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

Mackay model : 1.26E-007

Octanol/air (Koa) model: 6.59E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.57E-006

Mackay model : 1.01E-005

Octanol/air (Koa) model: 5.27E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 338.0720 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 353.2720 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 22.780 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 21.799 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.007 Days (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 725.379 Min (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

7.34E-006 (Junge-Pankow, Mackay avg)

5.27E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 436.8 L/kg (MCI method)

Log Koc: 2.640 (MCI method)

Koc : 910.2 L/kg (Kow method)

Log Koc: 2.959 (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 v3.01):

Log BCF from regression-based method = 0.575 (BCF = 3.758 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0208 days (HL = 1.049 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.224 (BCF = 167.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.224 (BAF = 167.5)

log Kow used: 3.41 (estimated)

Volatilization from Water:

Henry LC: 0.0234 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.264 hours

Half-Life from Model Lake : 115.2 hours (4.8 days)

Removal In Wastewater Treatment:

Total removal: 90.54 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 6.30 percent

Total to Air: 84.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.841 0.736 1000

Water 63 360 1000

Soil 35.1 720 1000

Sediment 1.11 3.24e+003 0

Persistence Time: 98.2 hr

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