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CAS Number: 136-23-2


CHEM : Butyl ziram

MOL FOR: C18 H36 N2 S4 Zn1

MOL WT : 474.13

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 7.04

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 521.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 222.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000398 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0531 (Modified Grain method)

MP (exp database): 105 deg C

BP (exp database): 296 deg C

Subcooled liquid VP: 0.00241 mm Hg (25 deg C, Mod-Grain method)

: 0.322 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.01042

log Kow used: 7.04 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 84.318 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Thiocarbamate, Di(Substit)

Thiocarbamate, Di (Zn salt)

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 5.20E-008 atm-m3/mole (5.27E-003 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: 2.383E-002 atm-m3/mole (2.414E+003 Pa-m3/mole)

VP: 0.000398 mm Hg (source: MPBPVP)

WS: 0.0104 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 7.04 (KowWin est)

Log Kaw used: -5.672 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.712

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9555

Biowin2 (Non-Linear Model) : 0.9747

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3448 (days-weeks )

Biowin4 (Primary Survey Model) : 4.2400 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.1038

Biowin6 (MITI Non-Linear Model): 0.0027

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4412

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): 0.321 Pa (0.00241 mm Hg)

Log Koa (Koawin est ): 12.712

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 9.34E-006

Octanol/air (Koa) model: 1.26

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000337

Mackay model : 0.000746

Octanol/air (Koa) model: 0.99

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 185.6527 E-12 cm3/molecule-sec

Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.691 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000542 (Junge-Pankow, Mackay avg)

0.99 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.795E+006 L/kg (MCI method)

Log Koc: 6.254 (MCI method)

Koc : 1.017E+006 L/kg (Kow method)

Log Koc: 6.007 (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 = 3.509 (BCF = 3228 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8173 days (HL = 6.566 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.894 (BCF = 783.2)

Log BAF Arnot-Gobas method (upper trophic) = 4.123 (BAF = 1.326e+004)

log Kow used: 7.04 (estimated)

Volatilization from Water:

Henry LC: 5.2E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.452E+004 hours (1022 days)

Half-Life from Model Lake : 2.677E+005 hours (1.115E+004 days)

Removal In Wastewater Treatment:

Total removal: 93.86 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.08 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 0.0964 1.38 1000

Water 7.42 208 1000

Soil 35 416 1000

Sediment 57.5 1.87e+003 0

Persistence Time: 617 hr

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