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CAS Number: 5979-28-2

SMILES : O=C(Nc(c(cc(c(ccc(NC(=O)C(N=Nc(c(cc(c1)CL)CL)c1)C(=O)C)c2C)c2)c3)C)c3

)C(N=Nc(c(cc(c4)CL)CL)c4)C(=O)C

CHEM : Butanamide, N,N'-(3,3'-dimethyl 1,1'-biphenyl -4,4'-diyl)bis 2- (2,4-

dichlorophenyl)azo -3-oxo-

MOL FOR: C34 H28 CL4 N6 O4

MOL WT : 726.45

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) = 8.31

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

Boiling Pt (deg C): 927.68 (Adapted Stein & Brown method)

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

VP(mm Hg,25 deg C): 1.85E-023 (Modified Grain method)

VP (Pa, 25 deg C) : 2.47E-021 (Modified Grain method)

Subcooled liquid VP: 9.5E-020 mm Hg (25 deg C, Mod-Grain method)

: 1.27E-017 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6.93e-007

log Kow used: 8.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.4423e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Hydrazines

Amides

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

Bond Method : 3.59E-023 atm-m3/mole (3.64E-018 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: 2.552E-017 atm-m3/mole (2.586E-012 Pa-m3/mole)

VP: 1.85E-023 mm Hg (source: MPBPVP)

WS: 6.93E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.31 (KowWin est)

Log Kaw used: -20.833 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 29.143

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.2683

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): -0.1364 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.2621 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.9464

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -5.0721

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): 1.27E-017 Pa (9.5E-020 mm Hg)

Log Koa (Koawin est ): 29.143

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

Mackay model : 2.37E+011

Octanol/air (Koa) model: 3.41E+016

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 = 25.1708 E-12 cm3/molecule-sec

Half-Life = 0.425 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.099 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 : 1.371E+006 L/kg (MCI method)

Log Koc: 6.137 (MCI method)

Koc : 7.387E+006 L/kg (Kow method)

Log Koc: 6.868 (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) = 0.3578 days (HL = 2.28 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.352 (BCF = 22.47)

Log BAF Arnot-Gobas method (upper trophic) = 2.329 (BAF = 213.2)

log Kow used: 8.31 (estimated)

Volatilization from Water:

Henry LC: 3.59E-023 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.396E+019 hours (1.832E+018 days)

Half-Life from Model Lake : 4.795E+020 hours (1.998E+019 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.00128 10.2 1000

Water 2.01 4.32e+003 1000

Soil 71 8.64e+003 1000

Sediment 26.9 3.89e+004 0

Persistence Time: 1.09e+004 hr

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