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: 2379-74-0
SMILES : O=C(c(c(S1)cc(c2)CL)c2C)C1=C(Sc(c3c(cc4CL)C)c4)C3(=O)
CHEM : Benzo b thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo
b thien-2(3H)-ylidene)-4-methyl-
MOL FOR: C18 H10 CL2 O2 S2
MOL WT : 393.30
------------------------------ EPI SUMMARY (v4.10) --------------------------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Water Solubility (mg/L): ------
Physical Property Inputs:
Vapor Pressure (mm Hg) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 5.92
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 517.30 (Adapted Stein & Brown method)
Melting Pt (deg C): 220.68 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.1E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 1.08E-008 (Modified Grain method)
VP (exp database): 3.00E-14 mm Hg (4.00E-012 Pa) at 25 deg C
Subcooled liquid VP: 2.58E-012 mm Hg (25 deg C, exp database VP )
: 3.45E-010 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.0299
log Kow used: 5.92 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 0.0015079 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ketones
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.05E-013 atm-m3/mole (3.09E-008 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: 1.402E-009 atm-m3/mole (1.420E-004 Pa-m3/mole)
VP: 8.1E-011 mm Hg (source: MPBPVP)
WS: 0.0299 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.92 (KowWin est)
Log Kaw used: -10.904 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 16.824
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3185
Biowin2 (Non-Linear Model) : 0.0017
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.7222 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.7681 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.0943
Biowin6 (MITI Non-Linear Model): 0.0015
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.8775
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 3.44E-010 Pa (2.58E-012 mm Hg)
Log Koa (Koawin est ): 16.824
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.72E+003
Octanol/air (Koa) model: 1.64E+004
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 55.8361 E-12 cm3/molecule-sec
Half-Life = 0.192 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.299 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.842E+004 L/kg (MCI method)
Log Koc: 4.265 (MCI method)
Koc : 3.898E+004 L/kg (Kow method)
Log Koc: 4.591 (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 = 2.985 (BCF = 965.8 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 1.0549 days (HL = 11.35 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.536 (BCF = 3433)
Log BAF Arnot-Gobas method (upper trophic) = 4.216 (BAF = 1.643e+004)
log Kow used: 5.92 (estimated)
Volatilization from Water:
Henry LC: 3.05E-013 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.807E+009 hours (1.586E+008 days)
Half-Life from Model Lake : 4.153E+010 hours (1.73E+009 days)
Removal In Wastewater Treatment:
Total removal: 91.78 percent
Total biodegradation: 0.77 percent
Total sludge adsorption: 91.01 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.16e-005 4.47 1000
Water 3.42 4.32e+003 1000
Soil 89.3 8.64e+003 1000
Sediment 7.23 3.89e+004 0
Persistence Time: 8.75e+003 hr