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CAS Number: 14324-55-1
SMILES : CCN(CC)C(=S)S[Zn]SC(=S)N(CC)CC
CHEM : Ethyl ziram
MOL FOR: C10 H20 N2 S4 Zn1
MOL WT : 361.91
------------------------------ 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) = 3.11
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 429.13 (Adapted Stein & Brown method)
Melting Pt (deg C): 171.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.98E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 5.31E-006 (Modified Grain method)
MP (exp database): 179.5 deg C
Subcooled liquid VP: 1.61E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000215 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 118.2
log Kow used: 3.11 (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 : 5.39E-009 atm-m3/mole (5.46E-004 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: 1.603E-010 atm-m3/mole (1.625E-005 Pa-m3/mole)
VP: 3.98E-008 mm Hg (source: MPBPVP)
WS: 118 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.11 (KowWin est)
Log Kaw used: -6.657 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.767
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5752
Biowin2 (Non-Linear Model) : 0.1062
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.3994 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3256 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1652
Biowin6 (MITI Non-Linear Model): 0.0022
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6218
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): 0.000215 Pa (1.61E-006 mm Hg)
Log Koa (Koawin est ): 9.767
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.014
Octanol/air (Koa) model: 0.00144
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.335
Mackay model : 0.528
Octanol/air (Koa) model: 0.103
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 167.4139 E-12 cm3/molecule-sec
Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.767 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.432 (Junge-Pankow, Mackay avg)
0.103 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1.475E+004 L/kg (MCI method)
Log Koc: 4.169 (MCI method)
Koc : 6815 L/kg (Kow method)
Log Koc: 3.833 (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 = 1.718 (BCF = 52.28 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4324 days (HL = 0.3695 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.855 (BCF = 71.69)
Log BAF Arnot-Gobas method (upper trophic) = 1.855 (BAF = 71.69)
log Kow used: 3.11 (estimated)
Volatilization from Water:
Henry LC: 5.39E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.066E+005 hours (8610 days)
Half-Life from Model Lake : 2.254E+006 hours (9.394E+004 days)
Removal In Wastewater Treatment:
Total removal: 6.74 percent
Total biodegradation: 0.13 percent
Total sludge adsorption: 6.61 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 0.0306 1.53 1000
Water 12.5 900 1000
Soil 76.9 1.8e+003 1000
Sediment 10.6 8.1e+003 0
Persistence Time: 1.49e+003 hr