This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet
CAS Number:
SMILES : C=CCSSSSCCC
CHEM :
MOL FOR: C6 H12 S4
MOL WT : 212.40
------------------------------ 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) = 3.70
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 298.50 (Adapted Stein & Brown method)
Melting Pt (deg C): 30.20 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0019 (Modified Grain method)
VP (Pa, 25 deg C) : 0.253 (Modified Grain method)
Subcooled liquid VP: 0.00211 mm Hg (25 deg C, Mod-Grain method)
: 0.282 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 26.06
log Kow used: 3.70 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 30.122 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.69E-003 atm-m3/mole (6.78E+002 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: 2.038E-005 atm-m3/mole (2.065E+000 Pa-m3/mole)
VP: 0.0019 mm Hg (source: MPBPVP)
WS: 26.1 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.70 (KowWin est)
Log Kaw used: -0.563 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.263
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6464
Biowin2 (Non-Linear Model) : 0.4981
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7298 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5413 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2475
Biowin6 (MITI Non-Linear Model): 0.0986
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6139
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.8378
BioHC Half-Life (days) : 6.8829
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.281 Pa (0.00211 mm Hg)
Log Koa (Koawin est ): 4.263
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.07E-005
Octanol/air (Koa) model: 4.5E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000385
Mackay model : 0.000852
Octanol/air (Koa) model: 3.6E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 493.8621 E-12 cm3/molecule-sec
Half-Life = 0.022 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 15.594 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
0.000619 (Junge-Pankow, Mackay avg)
3.6E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1451 L/kg (MCI method)
Log Koc: 3.162 (MCI method)
Koc : 1625 L/kg (Kow method)
Log Koc: 3.211 (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 = 0.769 (BCF = 5.871 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3300 days (HL = 0.4678 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.158 (BCF = 143.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.158 (BAF = 143.9)
log Kow used: 3.70 (estimated)
Volatilization from Water:
Henry LC: 0.00669 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.615 hours
Half-Life from Model Lake : 139.8 hours (5.826 days)
Removal In Wastewater Treatment:
Total removal: 75.39 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 12.52 percent
Total to Air: 62.76 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.146 0.508 1000
Water 21.5 900 1000
Soil 76.6 1.8e+003 1000
Sediment 1.75 8.1e+003 0
Persistence Time: 372 hr