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CAS Num: 000292-46-6
SMILES : S(SCS1)SCS1
CHEM : 1,2,3,5,6-PENTATHIEPANE
MOL FOR: C2 H4 S5
MOL WT : 188.35
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.31
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 286.73 (Adapted Stein & Brown method)
Melting Pt (deg C): 98.94 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00184 (Modified Grain method)
VP (Pa, 25 deg C) : 0.245 (Modified Grain method)
MP (exp database): 60.5 deg C
Subcooled liquid VP: 0.00394 mm Hg (25 deg C, Mod-Grain method)
: 0.525 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 532.7
log Kow used: 2.31 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 328.8 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.02E-005 atm-m3/mole (1.04E+000 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: 8.560E-007 atm-m3/mole (8.674E-002 Pa-m3/mole)
VP: 0.00184 mm Hg (source: MPBPVP)
WS: 533 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.31 (KowWin est)
Log Kaw used: -3.380 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.690
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6579
Biowin2 (Non-Linear Model) : 0.5827
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7829 (weeks )
Biowin4 (Primary Survey Model) : 3.5760 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1912
Biowin6 (MITI Non-Linear Model): 0.0803
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5961
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
LOG BioHC Half-Life (days) : 1.9673
BioHC Half-Life (days) : 92.7465
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.525 Pa (0.00394 mm Hg)
Log Koa (Koawin est ): 5.690
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.71E-006
Octanol/air (Koa) model: 1.2E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000206
Mackay model : 0.000457
Octanol/air (Koa) model: 9.62E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 788.6491 E-12 cm3/molecule-sec
Half-Life = 0.014 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 9.765 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000331 (Junge-Pankow, Mackay avg)
9.62E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 265.7 L/kg (MCI method)
Log Koc: 2.424 (MCI method)
Koc : 101 L/kg (Kow method)
Log Koc: 2.004 (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 v3.00):
Log BCF from regression-based method = 1.192 (BCF = 15.54 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.1174 days (HL = 0.07631 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.073 (BCF = 11.84)
Log BAF Arnot-Gobas method (upper trophic) = 1.073 (BAF = 11.84)
log Kow used: 2.31 (estimated)
Volatilization from Water:
Henry LC: 1.02E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 80.18 hours (3.341 days)
Half-Life from Model Lake : 989.7 hours (41.24 days)
Removal In Wastewater Treatment:
Total removal: 3.21 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.55 percent
Total to Air: 0.56 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0367 0.325 1000
Water 25.7 360 1000
Soil 74 720 1000
Sediment 0.304 3.24e+003 0
Persistence Time: 445 hr