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: 1258540-06-5
SMILES : CSCCCNC(=O)C(CCSC)NC(=O)C
CHEM :
MOL FOR: C11 H22 N2 O2 S2
MOL WT : 278.43
------------------------------ 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) = 0.54
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 481.98 (Adapted Stein & Brown method)
Melting Pt (deg C): 204.18 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.94E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 1.33E-007 (Modified Grain method)
Subcooled liquid VP: 7.81E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.04E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5666
log Kow used: 0.54 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.271e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.16E-014 atm-m3/mole (9.28E-009 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: 6.427E-014 atm-m3/mole (6.512E-009 Pa-m3/mole)
VP: 9.94E-010 mm Hg (source: MPBPVP)
WS: 5.67E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.54 (KowWin est)
Log Kaw used: -11.427 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 11.967
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.0353
Biowin2 (Non-Linear Model) : 0.9883
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4755 (weeks-months)
Biowin4 (Primary Survey Model) : 3.8569 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3347
Biowin6 (MITI Non-Linear Model): 0.1632
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5743
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): 1.04E-005 Pa (7.81E-008 mm Hg)
Log Koa (Koawin est ): 11.967
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.288
Octanol/air (Koa) model: 0.228
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.912
Mackay model : 0.958
Octanol/air (Koa) model: 0.948
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 52.4864 E-12 cm3/molecule-sec
Half-Life = 0.204 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.445 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
0.935 (Junge-Pankow, Mackay avg)
0.948 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 222.8 L/kg (MCI method)
Log Koc: 2.348 (MCI method)
Koc : 14.88 L/kg (Kow method)
Log Koc: 1.173 (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) = -2.6107 days (HL = 0.002451 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.018 (BCF = 0.9584)
Log BAF Arnot-Gobas method (upper trophic) = -0.018 (BAF = 0.9584)
log Kow used: 0.54 (estimated)
Volatilization from Water:
Henry LC: 9.16E-014 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.067E+010 hours (4.444E+008 days)
Half-Life from Model Lake : 1.163E+011 hours (4.848E+009 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.77 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.18e-005 4.89 1000
Water 14.2 900 1000
Soil 85.7 1.8e+003 1000
Sediment 0.183 8.1e+003 0
Persistence Time: 1.72e+003 hr