ATTACHMENT HEADER SHEET

Attachment Number 003

Attachment Name

EPI Summary

Associated PMN Section Number

N/A

Does not contain CBI

Report Number

DMP_101 122926607598
CH3

SMILES CclcnnclC

CHEM DMP

MOL FOR: 05 H8 N2

MOL WT : 96.13

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

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 vl.67 estimate) = 1.15

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

Boiling Pt (deg C): 215.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 27.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.143 (Modified Grain method)

VP (Pa, 25 deg C) : 19 (Modified Grain method)

Subcooled liquid VP: 0.15 mm Hg (25 deg C, Mod-Grain method)

20.1 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.242e+004

log Kow used: 1.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (vl.0l est) = 16857 mg/L

ECOSAR Class Program (ECOSAR vl.00):

Class(es) found:

Pyrazoles/Pyrroles

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method 4.50E-006 atm-m3/moie (4.56E-001 Pa-m3/moie)

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: 1.456E-006 atm-m3/mole (1.476E-001 Pa-m3/mole)

VP: 0.143 mm Hg (source: MPBPVP)

WS: 1.24E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN vl.l0]:

Log Kow used: 1.15 (KowWin est)

Log Kaw used: -3.735 (HenryWin est)

Log Koa (KOAWIN vl.l0 estimate): 4.885

Log Koa (experimental database) : None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowinl (Linear Model) 0.8111

Biowin2 (Non-Linear Model) : 0.9426

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8370 (weeks

Biowin4 (Primary Survey Model) : 3.5720 (days-weeks

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5173

Biowin6 (MITI Non-Linear Model): 0.6189

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0029

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin vl.0l):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C) [AEROWIN vl.00]:

Vapor pressure (liquid/subcooled): 20 Pa (0. 15mnu Hg)

Log Koa (Koawin est ): 4.885

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

Mackay model : 1.5E-007

Octanol/air (Koa) model: 1.88E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model :5.42E-006

Mackay model 1 .2E-005

Octanol/air (Koa) model: 1.51E-006

Atmospheric oxidation (25 deg C) [AopWin vl.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 115.4800 E-12 cm3/molecule-sec

Half-Life = 0.093 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.111 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.71E-006 (Junge-Pankow, Mackay avg)

1.51E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 53.21 L/kg (MCI method)

Log Koc: 1.726 (MCI method)
Koc :91.12 L/kg (Kow method)

Log Koc: 1.960 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bloaccumulation Estimates (ECFBAF v3.00):

Log BCF from regression-based method = 0.428 (BCF = 2.678 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9810 days (HL = 0.1045 days)

Log BCE Arnot-Gobas method (upper trophic) = 0.320 (BCE = 2.088)

Log BAF Arnot-Gobas method (upper trophic) = 0.320 (BAF = 2.088)

log Kow used: 1.15 (estimated)

Volatilization from Water:

Henry LC: 4.5E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 128.6 hours (5.357 days)

Half-Life from Model Lake : 1485 hours (61.86 days)

Removal In Wastewater Treatment:

Total removal: 2.15 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.81 percent

Total to Air: 0.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.261 2.22 1000

Water 30.7 360 1000

Soil 68.9 720 1000

Sediment 0.123 3.24e+003 0

Persistence Time: 416 hr