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CAS Number: 5567-15-7

SMILES : COc4cc(NC(=O)C(N=Nc1ccc(cc1CL)c3ccc(N=NC(C(=O)(C))C(=O)Nc2cc(OC)c(CL)

cc2OC)c(CL)c3)C(=O)(C))c(OC)cc4CL

CHEM : Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bi

s[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-

MOL FOR: C36 H32 CL4 N6 O8

MOL WT : 818.50

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Physical Property Inputs:

------------------------------ EPI SUMMARY (v3.20) --------------------------

Water Solubility (mg/L): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 7.54

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

Boiling Pt (deg C): 999.09 (Adapted Stein & Brown method)

Melting Pt (deg C): 349.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.8E-025 (Modified Grain method)

VP (Pa, 25 deg C) : 2.4E-023 (Modified Grain method)

Subcooled liquid VP: 9.24E-022 mm Hg (25 deg C, Mod-Grain method)

: 1.23E-019 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 7.601e-007

log Kow used: 7.54 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.954e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Hydrazines

Amides

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

Bond Method : 3.61E-028 atm-m3/mole (3.66E-023 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: 2.550E-019 atm-m3/mole (2.584E-014 Pa-m3/mole)

VP: 1.8E-025 mm Hg (source: MPBPVP)

WS: 7.6E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.54 (KowWin est)

Log Kaw used: -25.831 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 33.371

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1061

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): -0.4226 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.5748 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.5370

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -3.7439

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): 1.23E-019 Pa (9.24E-022 mm Hg)

Log Koa (Koawin est ): 33.371

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

Mackay model : 2.44E+013

Octanol/air (Koa) model: 5.77E+020

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 76.2651 E-12 cm3/molecule-sec

Half-Life = 0.140 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.683 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.133E+006 L/kg (MCI method)

Log Koc: 6.329 (MCI method)

Koc : 3.584E+006 L/kg (Kow method)

Log Koc: 6.554 (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 = 1.000 (BCF = 10 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.4388 days (HL = 27.46 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.056 (BCF = 1138)

Log BAF Arnot-Gobas method (upper trophic) = 5.555 (BAF = 3.588e+005)

log Kow used: 7.54 (estimated)

Volatilization from Water:

Henry LC: 3.61E-028 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.64E+024 hours (1.933E+023 days)

Half-Life from Model Lake : 5.062E+025 hours (2.109E+024 days)

Removal In Wastewater Treatment:

Total removal: 93.98 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.20 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 1.09e-006 3.36 1000

Water 0.906 4.32e+003 1000

Soil 56.9 8.64e+003 1000

Sediment 42.2 3.89e+004 0

Persistence Time: 1.39e+004 hr

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