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CAS Number: 12071-83-9
SMILES : S=C(N)S[Zn]CCC[Zn]SC(N)=S
CHEM : (PROPYLENEBIS(DITHIOCARBAMATO))ZINC
MOL FOR: C5 H10 N2 S4 Zn2
MOL WT : 357.17
------------------------------ 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) = 2.06
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 410.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 170.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.48E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 1.97E-005 (Modified Grain method)
Subcooled liquid VP: 4.72E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00063 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 986.9
log Kow used: 2.06 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
SHOULD NOT BE PROFILED
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : Incomplete
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: 7.048E-011 atm-m3/mole (7.141E-006 Pa-m3/mole)
VP: 1.48E-007 mm Hg (source: MPBPVP)
WS: 987 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Can Not Estimate (can not calculate HenryLC)
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5775
Biowin2 (Non-Linear Model) : 0.1127
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4099 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3324 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2022
Biowin6 (MITI Non-Linear Model): 0.0015
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9141
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): 0.000629 Pa (4.72E-006 mm Hg)
Log Koa (): not available
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00477
Octanol/air (Koa) model: not available
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.147
Mackay model : 0.276
Octanol/air (Koa) model: not available
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 66.3895 E-12 cm3/molecule-sec
Half-Life = 0.161 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.933 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.211 (Junge-Pankow, Mackay avg)
not available (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 9795 L/kg (MCI method)
Log Koc: 3.991 (MCI method)
Koc : 2187 L/kg (Kow method)
Log Koc: 3.340 (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 = 1.029 (BCF = 10.68 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.7461 days (HL = 0.01794 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.600 (BCF = 3.985)
Log BAF Arnot-Gobas method (upper trophic) = 0.600 (BAF = 3.985)
log Kow used: 2.06 (estimated)
Volatilization from Water:
Henry LC: 7.05E-011 atm-m3/mole (calculated from VP/WS)
Half-Life from Model River: 1.57E+007 hours (6.542E+005 days)
Half-Life from Model Lake : 1.713E+008 hours (7.136E+006 days)
Removal In Wastewater Treatment:
Total removal: 2.30 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.21 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 0.000598 3.87 1000
Water 10.3 900 1000
Soil 83.8 1.8e+003 1000
Sediment 5.86 8.1e+003 0
Persistence Time: 1.95e+003 hr