SMILES : S(C)CCSC
CHEM : ETHANE, 1,2-BIS(METHYLTHIO)-
CAS NUM: 006628-18-8
MOL FOR: C4 H10 S2
MOL WT : 122.24
------------------------------ 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) = 1.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 158.83 (Adapted Stein & Brown method)
Melting Pt (deg C): -45.22 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.834 (Mean VP of Antoine & Grain methods)
BP (exp database): 183 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5188
log Kow used: 1.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2638.4 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.11E-005 atm-m3/mole
Group Method: 9.30E-006 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 2.586E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.50 (KowWin est)
Log Kaw used: -3.343 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.843
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6893
Biowin2 (Non-Linear Model) : 0.7812
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9290 (weeks )
Biowin4 (Primary Survey Model) : 3.6714 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4481
Biowin6 (MITI Non-Linear Model): 0.4736
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7289
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): 101 Pa (0.759 mm Hg)
Log Koa (Koawin est ): 4.843
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.96E-008
Octanol/air (Koa) model: 1.71E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.07E-006
Mackay model : 2.37E-006
Octanol/air (Koa) model: 1.37E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 23.4432 E-12 cm3/molecule-sec
Half-Life = 0.456 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.475 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 1.72E-006 (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 = 0.453 (BCF = 2.835)
log Kow used: 1.50 (estimated)
Volatilization from Water:
Henry LC: 9.3E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 107.6 hours (4.485 days)
Half-Life from Model Lake : 864.3 hours (36.01 days)
Removal In Wastewater Treatment:
Total removal: 2.48 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.87 percent
Total to Air: 0.52 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.39 11 1000
Water 38.4 360 1000
Soil 60.1 720 1000
Sediment 0.0913 3.24e+003 0
Persistence Time: 368 hr