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CAS Number: 7330-31-6
SMILES : CSSSSSC
CHEM :
MOL FOR: C2 H6 S5
MOL WT : 190.37
------------------------------ 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) = 1.87
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 282.34 (Adapted Stein & Brown method)
Melting Pt (deg C): 21.15 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00496 (Modified Grain method)
VP (Pa, 25 deg C) : 0.661 (Modified Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1230
log Kow used: 1.87 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2919.6 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.46E-003 atm-m3/mole (4.52E+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: 1.010E-006 atm-m3/mole (1.023E-001 Pa-m3/mole)
VP: 0.00496 mm Hg (source: MPBPVP)
WS: 1.23E+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: -0.739 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.609
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6569
Biowin2 (Non-Linear Model) : 0.5758
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7785 (weeks )
Biowin4 (Primary Survey Model) : 3.5731 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1466
Biowin6 (MITI Non-Linear Model): 0.0506
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6769
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 0.6280
BioHC Half-Life (days) : 4.2462
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.661 Pa (0.00496 mm Hg)
Log Koa (Koawin est ): 2.609
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.54E-006
Octanol/air (Koa) model: 9.98E-011
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000164
Mackay model : 0.000363
Octanol/air (Koa) model: 7.98E-009
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 677.1216 E-12 cm3/molecule-sec
Half-Life = 0.016 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 11.373 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000263 (Junge-Pankow, Mackay avg)
7.98E-009 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 239.7 L/kg (MCI method)
Log Koc: 2.380 (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 v3.01):
Log BCF from regression-based method = -0.437 (BCF = 0.3653 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9593 days (HL = 0.1098 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.820 (BCF = 6.609)
Log BAF Arnot-Gobas method (upper trophic) = 0.820 (BAF = 6.609)
log Kow used: 1.87 (estimated)
Volatilization from Water:
Henry LC: 0.00446 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.589 hours
Half-Life from Model Lake : 133 hours (5.543 days)
Removal In Wastewater Treatment:
Total removal: 64.20 percent
Total biodegradation: 0.05 percent
Total sludge adsorption: 1.01 percent
Total to Air: 63.14 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.27 0.379 1000
Water 42.9 360 1000
Soil 56.3 720 1000
Sediment 0.47 3.24e+003 0
Persistence Time: 148 hr