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 Num: 003658-80-8
SMILES : S(SSC)C
CHEM : Trisulfide, dimethyl
MOL FOR: C2 H6 S3
MOL WT : 126.25
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.87
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 177.28 (Adapted Stein & Brown method)
Melting Pt (deg C): -33.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.1 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 147 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2390
log Kow used: 1.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3058.3 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.87E-003 atm-m3/mole (1.90E+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: 7.646E-005 atm-m3/mole (7.747E+000 Pa-m3/mole)
VP: 1.1 mm Hg (source: MPBPVP)
WS: 2.39E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.87 (KowWin est)
Log Kaw used: -1.117 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.987
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6874
Biowin2 (Non-Linear Model) : 0.7713
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9202 (weeks )
Biowin4 (Primary Survey Model) : 3.6656 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3374
Biowin6 (MITI Non-Linear Model): 0.2535
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.4952
BioHC Half-Life (days) : 3.1275
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 133 Pa (1 mm Hg)
Log Koa (Koawin est ): 2.987
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.25E-008
Octanol/air (Koa) model: 2.38E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.13E-007
Mackay model : 1.8E-006
Octanol/air (Koa) model: 1.91E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 452.1216 E-12 cm3/molecule-sec
Half-Life = 0.024 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.033 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.31E-006 (Junge-Pankow, Mackay avg)
1.91E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 72.17 L/kg (MCI method)
Log Koc: 1.858 (MCI method)
Koc : 41.93 L/kg (Kow method)
Log Koc: 1.623 (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 v3.00):
Log BCF from regression-based method = -0.437 (BCF = 0.3653 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.7949 days (HL = 0.1604 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.856 (BCF = 7.172)
Log BAF Arnot-Gobas method (upper trophic) = 0.856 (BAF = 7.172)
log Kow used: 1.87 (estimated)
Volatilization from Water:
Henry LC: 0.00187 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.498 hours
Half-Life from Model Lake : 110.6 hours (4.607 days)
Removal In Wastewater Treatment:
Total removal: 44.07 percent
Total biodegradation: 0.06 percent
Total sludge adsorption: 1.35 percent
Total to Air: 42.66 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.44 0.568 1000
Water 48.8 360 1000
Soil 50.6 720 1000
Sediment 0.233 3.24e+003 0
Persistence Time: 136 hr