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CAS Number: 3325-33-5
SMILES : C1CSSSC1
CHEM :
MOL FOR: C3 H6 S3
MOL WT : 138.26
------------------------------ 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) = 2.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 205.84 (Adapted Stein & Brown method)
Melting Pt (deg C): 28.49 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.23 (Modified Grain method)
VP (Pa, 25 deg C) : 30.7 (Modified Grain method)
Subcooled liquid VP: 0.247 mm Hg (25 deg C, Mod-Grain method)
: 33 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1016
log Kow used: 2.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1496.2 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.10E-003 atm-m3/mole (1.11E+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: 4.118E-005 atm-m3/mole (4.173E+000 Pa-m3/mole)
VP: 0.23 mm Hg (source: MPBPVP)
WS: 1.02E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.25 (KowWin est)
Log Kaw used: -1.347 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.597
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6817
Biowin2 (Non-Linear Model) : 0.7399
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8936 (weeks )
Biowin4 (Primary Survey Model) : 3.6483 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3600
Biowin6 (MITI Non-Linear Model): 0.3195
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4760
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.5361
BioHC Half-Life (days) : 34.3611
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 32.9 Pa (0.247 mm Hg)
Log Koa (Koawin est ): 3.597
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.11E-008
Octanol/air (Koa) model: 9.71E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.29E-006
Mackay model : 7.29E-006
Octanol/air (Koa) model: 7.76E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 469.3347 E-12 cm3/molecule-sec
Half-Life = 0.023 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 16.409 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.29E-006 (Junge-Pankow, Mackay avg)
7.76E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 145.8 L/kg (MCI method)
Log Koc: 2.164 (MCI method)
Koc : 89.61 L/kg (Kow method)
Log Koc: 1.952 (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 = 1.153 (BCF = 14.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9107 days (HL = 0.1228 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.117 (BCF = 13.08)
Log BAF Arnot-Gobas method (upper trophic) = 1.117 (BAF = 13.08)
log Kow used: 2.25 (estimated)
Volatilization from Water:
Henry LC: 0.0011 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.826 hours
Half-Life from Model Lake : 118.5 hours (4.938 days)
Removal In Wastewater Treatment:
Total removal: 32.97 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 1.89 percent
Total to Air: 31.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.232 0.547 1000
Water 31.3 360 1000
Soil 68.2 720 1000
Sediment 0.237 3.24e+003 0
Persistence Time: 220 hr