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: 000067-68-5
SMILES : O=S(C)C
CHEM : Methane, sulfinylbis-
MOL FOR: C2 H6 O1 S1
MOL WT : 78.13
------------------------------ 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) = -1.22
Log Kow (Exper. database match) = -1.35
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 128.63 (Adapted Stein & Brown method)
Melting Pt (deg C): -49.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.622 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 82.9 (Mean VP of Antoine & Grain methods)
MP (exp database): 18.5 deg C
BP (exp database): 189 deg C
VP (exp database): 6.10E-01 mm Hg (8.13E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.35 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)
Exper. Ref: DORIGAN,J ET AL. (1976A);@2ND
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.96E-008 atm-m3/mole (5.02E-003 Pa-m3/mole)
Group Method: 1.90E-003 atm-m3/mole (1.92E+002 Pa-m3/mole)
Exper Database: 1.51E-09 atm-m3/mole (1.53E-004 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 6.394E-008 atm-m3/mole (6.479E-003 Pa-m3/mole)
VP: 0.622 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.35 (exp database)
Log Kaw used: -7.209 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.859
Log Koa (experimental database): 4.960
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7104
Biowin2 (Non-Linear Model) : 0.8698
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0265 (weeks )
Biowin4 (Primary Survey Model) : 3.7350 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4805
Biowin6 (MITI Non-Linear Model): 0.5766
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
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): 81.3 Pa (0.61 mm Hg)
Log Koa (Exp database): 4.960
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.69E-008
Octanol/air (Koa) model: 2.24E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.33E-006
Mackay model : 2.95E-006
Octanol/air (Koa) model: 1.79E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 62.1216 E-12 cm3/molecule-sec
Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.066 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.14E-006 (Junge-Pankow, Mackay avg)
1.79E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 2.082 L/kg (MCI method)
Log Koc: 0.319 (MCI method)
Koc : 1.877 L/kg (Kow method)
Log Koc: 0.273 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6621 days (HL = 0.02177 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8952)
Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8952)
log Kow used: -1.35 (expkow database)
Volatilization from Water:
Henry LC: 1.51E-009 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 3.427E+005 hours (1.428E+004 days)
Half-Life from Model Lake : 3.739E+006 hours (1.558E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.0325 4.14 1000
Water 37 360 1000
Soil 62.8 720 1000
Sediment 0.071 3.24e+003 0
Persistence Time: 573 hr