SMILES : S(SSSC)C
CHEM : Tetrasulfide, dimethyl
CAS NUM: 005756-24-1
MOL FOR: C2 H6 S4
MOL WT : 158.31
------------------------------ EPI SUMMARY (v3.20) --------------------------
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 v1.42):
Boiling Pt (deg C): 233.52 (Adapted Stein & Brown method)
Melting Pt (deg C): -0.28 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.065 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1751
log Kow used: 1.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3051.4 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.89E-003 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 7.733E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.87 (KowWin est)
Log Kaw used: -0.928 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.798
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6722
Biowin2 (Non-Linear Model) : 0.6815
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8493 (weeks )
Biowin4 (Primary Survey Model) : 3.6193 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2420
Biowin6 (MITI Non-Linear Model): 0.1186
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.5616
BioHC Half-Life (days) : 3.6442
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 8.23 Pa (0.0617 mm Hg)
Log Koa (Koawin est ): 2.798
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.65E-007
Octanol/air (Koa) model: 1.54E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.32E-005
Mackay model : 2.92E-005
Octanol/air (Koa) model: 1.23E-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): 2.12E-005 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 149
Log Koc: 2.173
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.742 (BCF = 5.526)
log Kow used: 1.87 (estimated)
Volatilization from Water:
Henry LC: 0.00289 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.059 hours
Half-Life from Model Lake : 122.3 hours (5.095 days)
Removal In Wastewater Treatment:
Total removal: 54.22 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.18 percent
Total to Air: 52.99 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.688 0.568 1000
Water 70.1 360 1000
Soil 29 720 1000
Sediment 0.217 3.24e+003 0
Persistence Time: 92.6 hr