This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 15832-01-6
SMILES : c1cc(sc1)CSCc2cccs2
CHEM :
MOL FOR: C10 H10 S3
MOL WT : 226.37
------------------------------ 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) = 3.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 338.36 (Adapted Stein & Brown method)
Melting Pt (deg C): 107.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.89E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00519 (Modified Grain method)
Subcooled liquid VP: 0.000249 mm Hg (25 deg C, Mod-Grain method)
: 0.0332 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 12.83
log Kow used: 3.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.1244 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Thiophenes
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.51E-006 atm-m3/mole (1.53E-001 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: 9.031E-007 atm-m3/mole (9.151E-002 Pa-m3/mole)
VP: 3.89E-005 mm Hg (source: MPBPVP)
WS: 12.8 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.98 (KowWin est)
Log Kaw used: -4.209 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.189
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6398
Biowin2 (Non-Linear Model) : 0.4487
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6989 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5211 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0234
Biowin6 (MITI Non-Linear Model): 0.0283
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2488
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.6836
BioHC Half-Life (days) : 48.2610
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.0332 Pa (0.000249 mm Hg)
Log Koa (Koawin est ): 8.189
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.04E-005
Octanol/air (Koa) model: 3.79E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00325
Mackay model : 0.00718
Octanol/air (Koa) model: 0.00303
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 63.6316 E-12 cm3/molecule-sec
Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.017 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.00522 (Junge-Pankow, Mackay avg)
0.00303 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9161 L/kg (MCI method)
Log Koc: 3.962 (MCI method)
Koc : 2843 L/kg (Kow method)
Log Koc: 3.454 (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 = 2.290 (BCF = 194.9 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6847 days (HL = 0.2067 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.909 (BCF = 81.08)
Log BAF Arnot-Gobas method (upper trophic) = 1.909 (BAF = 81.08)
log Kow used: 3.98 (estimated)
Volatilization from Water:
Henry LC: 1.51E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 584.9 hours (24.37 days)
Half-Life from Model Lake : 6507 hours (271.1 days)
Removal In Wastewater Treatment:
Total removal: 29.21 percent
Total biodegradation: 0.31 percent
Total sludge adsorption: 28.84 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.159 4.03 1000
Water 15.8 900 1000
Soil 75.6 1.8e+003 1000
Sediment 8.41 8.1e+003 0
Persistence Time: 1.15e+003 hr