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 Number: 627-51-0
SMILES : S(C=C)C=C
CHEM : ETHENE, 1,1'-THIOBIS-
MOL FOR: C4 H6 S1
MOL WT : 86.15
------------------------------ 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) = 1.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 89.27 (Adapted Stein & Brown method)
Melting Pt (deg C): -84.49 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 73.8 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 9.84E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): 20 deg C
BP (exp database): 84 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2840
log Kow used: 1.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3296.3 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.19E-003 atm-m3/mole (6.27E+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: 2.946E-003 atm-m3/mole (2.985E+002 Pa-m3/mole)
VP: 73.8 mm Hg (source: MPBPVP)
WS: 2.84E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.93 (KowWin est)
Log Kaw used: -0.597 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.527
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7065
Biowin2 (Non-Linear Model) : 0.8564
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0088 (weeks )
Biowin4 (Primary Survey Model) : 3.7234 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4930
Biowin6 (MITI Non-Linear Model): 0.5522
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3949
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.5163
BioHC Half-Life (days) : 3.2835
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 9.49E+003 Pa (71.2 mm Hg)
Log Koa (Koawin est ): 2.527
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.16E-010
Octanol/air (Koa) model: 8.26E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.14E-008
Mackay model : 2.53E-008
Octanol/air (Koa) model: 6.61E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 54.3000 E-12 cm3/molecule-sec
Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.364 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec
Half-Life = 3.274 Days (at 7E11 mol/cm3)
Half-Life = 78.583 Hrs
Fraction sorbed to airborne particulates (phi):
1.83E-008 (Junge-Pankow, Mackay avg)
6.61E-009 (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 : 47.28 L/kg (Kow method)
Log Koc: 1.675 (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 = 0.942 (BCF = 8.758 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5708 days (HL = 0.2686 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.940 (BCF = 8.708)
Log BAF Arnot-Gobas method (upper trophic) = 0.940 (BAF = 8.708)
log Kow used: 1.93 (estimated)
Volatilization from Water:
Henry LC: 0.00619 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.035 hours
Half-Life from Model Lake : 89.12 hours (3.713 days)
Removal In Wastewater Treatment:
Total removal: 71.13 percent
Total biodegradation: 0.04 percent
Total sludge adsorption: 0.93 percent
Total to Air: 70.16 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 5.12 4.46 1000
Water 67.6 360 1000
Soil 27 720 1000
Sediment 0.322 3.24e+003 0
Persistence Time: 93.4 hr