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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