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CAS Number: 7529-06-8
SMILES : C(S)SCS
CHEM :
MOL FOR: C2 H6 S3
MOL WT : 126.25
------------------------------ 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) = 0.81
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 201.73 (Adapted Stein & Brown method)
Melting Pt (deg C): -24.71 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.331 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 44.1 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.947e+004
log Kow used: 0.81 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2527.9 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Thiols and Mercaptans
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.89E-007 atm-m3/mole (1.00E-001 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: 2.824E-006 atm-m3/mole (2.862E-001 Pa-m3/mole)
VP: 0.331 mm Hg (source: MPBPVP)
WS: 1.95E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.81 (KowWin est)
Log Kaw used: -4.393 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.203
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6874
Biowin2 (Non-Linear Model) : 0.7713
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9202 (weeks )
Biowin4 (Primary Survey Model) : 3.6656 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4354
Biowin6 (MITI Non-Linear Model): 0.4354
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8881
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): 40.4 Pa (0.303 mm Hg)
Log Koa (Koawin est ): 5.203
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.43E-008
Octanol/air (Koa) model: 3.92E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.68E-006
Mackay model : 5.94E-006
Octanol/air (Koa) model: 3.13E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 180.3491 E-12 cm3/molecule-sec
Half-Life = 0.059 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.712 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
4.31E-006 (Junge-Pankow, Mackay avg)
3.13E-006 (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 : 5.042 L/kg (Kow method)
Log Koc: 0.703 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5646 days (HL = 0.02725 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.093 (BCF = 1.24)
Log BAF Arnot-Gobas method (upper trophic) = 0.093 (BAF = 1.24)
log Kow used: 0.81 (estimated)
Volatilization from Water:
Henry LC: 9.89E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 666.3 hours (27.76 days)
Half-Life from Model Lake : 7363 hours (306.8 days)
Removal In Wastewater Treatment:
Total removal: 1.93 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.78 percent
Total to Air: 0.06 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.159 1.42 1000
Water 29.4 360 1000
Soil 70.3 720 1000
Sediment 0.14 3.24e+003 0
Persistence Time: 429 hr