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: 534-25-8
SMILES : C1=CSSC1=S
CHEM :
MOL FOR: C3 H2 S3
MOL WT : 134.23
------------------------------ 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) = 1.45
Log Kow (Exper. database match) = 1.58
Exper. Ref: BONA,M ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 270.57 (Adapted Stein & Brown method)
Melting Pt (deg C): 64.04 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00396 (Modified Grain method)
VP (Pa, 25 deg C) : 0.528 (Modified Grain method)
Subcooled liquid VP: 0.00918 mm Hg (25 deg C, Mod-Grain method)
: 1.22 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 3957
log Kow used: 1.58 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3347.3 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.13E-003 atm-m3/mole (1.15E+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: 1.768E-007 atm-m3/mole (1.791E-002 Pa-m3/mole)
VP: 0.00396 mm Hg (source: MPBPVP)
WS: 3.96E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.58 (exp database)
Log Kaw used: -1.335 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 2.915
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6836
Biowin2 (Non-Linear Model) : 0.7508
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9025 (weeks )
Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3252
Biowin6 (MITI Non-Linear Model): 0.2155
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6890
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): 1.22 Pa (0.00918 mm Hg)
Log Koa (Koawin est ): 2.915
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.45E-006
Octanol/air (Koa) model: 2.02E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 8.85E-005
Mackay model : 0.000196
Octanol/air (Koa) model: 1.61E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 281.4000 E-12 cm3/molecule-sec
Half-Life = 0.038 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 27.367 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
0.000142 (Junge-Pankow, Mackay avg)
1.61E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 34.53 L/kg (MCI method)
Log Koc: 1.538 (MCI method)
Koc : 125.7 L/kg (Kow method)
Log Koc: 2.099 (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 = 0.709 (BCF = 5.123 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1980 days (HL = 0.06339 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.547 (BCF = 3.526)
Log BAF Arnot-Gobas method (upper trophic) = 0.547 (BAF = 3.526)
log Kow used: 1.58 (expkow database)
Volatilization from Water:
Henry LC: 0.00113 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.783 hours
Half-Life from Model Lake : 116.6 hours (4.858 days)
Removal In Wastewater Treatment:
Total removal: 33.20 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 1.40 percent
Total to Air: 31.72 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.708 0.907 1000
Water 52 360 1000
Soil 47.1 720 1000
Sediment 0.17 3.24e+003 0
Persistence Time: 134 hr