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CAS Number: 137-30-4
SMILES : CN(C)C(=S)S[Zn]SC(=S)N(C)C
CHEM : Ziram
MOL FOR: C6 H12 N2 S4 Zn1
MOL WT : 305.81
------------------------------ 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) = 1.14
Log Kow (Exper. database match) = 1.23
Exper. Ref: TOMLIN,C (1997)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 382.71 (Adapted Stein & Brown method)
Melting Pt (deg C): 140.93 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.79E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 1.04E-005 (Modified Grain method)
MP (exp database): 250 dec deg C
VP (exp database): 7.50E-09 mm Hg (1.00E-006 Pa) at 0 deg C
Subcooled liquid VP: 2.18E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00291 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.03e+004
log Kow used: 1.23 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 65 mg/L (25 deg C)
Exper. Ref: GUNTHER,FA ET AL. (1968)
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 : 1.74E-009 atm-m3/mole (1.76E-004 Pa-m3/mole)
Group Method: Incomplete
Exper Database: 6.19E-10 atm-m3/mole (6.27E-005 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.043E-012 atm-m3/mole (3.084E-007 Pa-m3/mole)
VP: 7.79E-008 mm Hg (source: MPBPVP)
WS: 1.03E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.23 (exp database)
Log Kaw used: -7.597 (exp database)
Log Koa (KOAWIN v1.10 estimate): 8.827
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6020
Biowin2 (Non-Linear Model) : 0.2085
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5234 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4065 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1960
Biowin6 (MITI Non-Linear Model): 0.0020
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5178
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): 0.00291 Pa (2.18E-005 mm Hg)
Log Koa (Koawin est ): 8.827
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00103
Octanol/air (Koa) model: 0.000165
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0359
Mackay model : 0.0763
Octanol/air (Koa) model: 0.013
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 137.0592 E-12 cm3/molecule-sec
Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.936 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0561 (Junge-Pankow, Mackay avg)
0.013 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1114 L/kg (MCI method)
Log Koc: 3.047 (MCI method)
Koc : 621.7 L/kg (Kow method)
Log Koc: 2.794 (Kow method)
Experimental Log Koc: 2.6 (database)
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 = 0.479 (BCF = 3.01 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9628 days (HL = 0.1089 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.366 (BCF = 2.325)
Log BAF Arnot-Gobas method (upper trophic) = 0.366 (BAF = 2.325)
log Kow used: 1.23 (expkow database)
Volatilization from Water:
Henry LC: 6.19E-010 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 1.654E+006 hours (6.892E+004 days)
Half-Life from Model Lake : 1.804E+007 hours (7.518E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.91 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.82 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 0.00758 1.87 1000
Water 12.3 900 1000
Soil 86.9 1.8e+003 1000
Sediment 0.763 8.1e+003 0
Persistence Time: 1.72e+003 hr