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CAS Num: 000123-77-3

SMILES : O=C(N=NC(=O)N)N

CHEM : Diazenedicarboxamide

MOL FOR: C2 H4 N4 O2

MOL WT : 116.08

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -3.89

Log Kow (Exper. database match) = -1.70

Exper. Ref: VERSCHUEREN,K (1996)

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

Boiling Pt (deg C): 312.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 117.02 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.02E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00136 (Modified Grain method)

MP (exp database): 212 dec deg C

VP (exp database): 1.88E-10 mm Hg (2.51E-008 Pa) at 20 deg C

Subcooled liquid VP: 1.33E-008 mm Hg (20 deg C, exp database VP )

: 1.77E-006 Pa (20 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1.437e+005

log Kow used: -1.70 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 35 mg/L (20 deg C)

Exper. Ref: VERSCHUEREN,K (1996)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Amides

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

Bond Method : 3.41E-016 atm-m3/mole (3.45E-011 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 8.20E-13 atm-m3/mole (8.31E-008 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: 1.084E-011 atm-m3/mole (1.099E-006 Pa-m3/mole)

VP: 1.02E-005 mm Hg (source: MPBPVP)

WS: 1.44E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -1.70 (exp database)

Log Kaw used: -10.475 (exp database)

Log Koa (KOAWIN v1.10 estimate): 8.775

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6923

Biowin2 (Non-Linear Model) : 0.7958

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9426 (weeks )

Biowin4 (Primary Survey Model) : 3.6803 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3668

Biowin6 (MITI Non-Linear Model): 0.3046

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8361

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): 1.77E-006 Pa (1.33E-008 mm Hg)

Log Koa (Koawin est ): 8.775

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

Mackay model : 1.69

Octanol/air (Koa) model: 0.000146

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.984

Mackay model : 0.993

Octanol/air (Koa) model: 0.0116

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.0000 E-12 cm3/molecule-sec

Half-Life = 5.348 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 64.176 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.988 (Junge-Pankow, Mackay avg)

0.0116 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 69.58 L/kg (MCI method)

Log Koc: 1.842 (MCI method)

Koc : 2.605 L/kg (Kow method)

Log Koc: 0.416 (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 v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -4.8670 days (HL = 1.358e-005 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8934)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8934)

log Kow used: -1.70 (expkow database)

Volatilization from Water:

Henry LC: 8.2E-013 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 7.693E+008 hours (3.205E+007 days)

Half-Life from Model Lake : 8.392E+009 hours (3.497E+008 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 1.54e-005 128 1000

Water 20.5 360 1000

Soil 79.4 720 1000

Sediment 0.0959 3.24e+003 0

Persistence Time: 733 hr

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