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CAS Number: 695-34-1

SMILES : n(c(N)cc(c1)C)c1

CHEM : 2-Pyridinamine, 4-methyl-

MOL FOR: C6 H8 N2

MOL WT : 108.14

------------------------------ 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) = 1.08

Log Kow (Exper. database match) = 0.56

Exper. Ref: DAYLIGHT (1999)

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

Boiling Pt (deg C): 213.30 (Adapted Stein & Brown method)

Melting Pt (deg C): 33.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0318 (Modified Grain method)

VP (Pa, 25 deg C) : 4.24 (Modified Grain method)

MP (exp database): 100 deg C

Subcooled liquid VP: 0.171 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3.668e+004

log Kow used: 0.56 (expkow database)

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:

Anilines (Unhindered)

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

Bond Method : 2.75E-009 atm-m3/mole (2.79E-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: 1.234E-007 atm-m3/mole (1.250E-002 Pa-m3/mole)

VP: 0.0318 mm Hg (source: MPBPVP)

WS: 3.67E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.56 (exp database)

Log Kaw used: -6.949 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.509

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3624

Biowin2 (Non-Linear Model) : 0.1832

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5362 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4961 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2653

Biowin6 (MITI Non-Linear Model): 0.1659

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5413

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): 22.8 Pa (0.171 mm Hg)

Log Koa (Koawin est ): 7.509

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

Mackay model : 1.32E-007

Octanol/air (Koa) model: 7.93E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.75E-006

Mackay model : 1.05E-005

Octanol/air (Koa) model: 0.000634

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 53.4621 E-12 cm3/molecule-sec

Half-Life = 0.200 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.401 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

7.64E-006 (Junge-Pankow, Mackay avg)

0.000634 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 55.43 L/kg (MCI method)

Log Koc: 1.744 (MCI method)

Koc : 24.53 L/kg (Kow method)

Log Koc: 1.390 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.9433 days (HL = 0.01139 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.005 (BCF = 1.012)

Log BAF Arnot-Gobas method (upper trophic) = 0.005 (BAF = 1.012)

log Kow used: 0.56 (expkow database)

Volatilization from Water:

Henry LC: 2.75E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.214E+005 hours (9225 days)

Half-Life from Model Lake : 2.415E+006 hours (1.006E+005 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 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 0.0229 4.8 1000

Water 21.5 900 1000

Soil 78.4 1.8e+003 1000

Sediment 0.0977 8.1e+003 0

Persistence Time: 1.39e+003 hr

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