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CAS Number: 6705-33-5

SMILES : c1cnc(cn1)CO

CHEM : pyrazin-2-ylmethanol

MOL FOR: C5 H6 N2 O1

MOL WT : 110.12

------------------------------ 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 v1.67 estimate) = -0.98

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

Boiling Pt (deg C): 223.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.52 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.012 (Modified Grain method)

VP (Pa, 25 deg C) : 1.6 (Modified Grain method)

Subcooled liquid VP: 0.0159 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 7.427e+005

log Kow used: -0.98 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

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

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Benzyl Alcohols

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

Bond Method : 1.18E-010 atm-m3/mole (1.19E-005 Pa-m3/mole)

Group Method: 7.56E-014 atm-m3/mole (7.66E-009 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: 2.341E-009 atm-m3/mole (2.372E-004 Pa-m3/mole)

VP: 0.012 mm Hg (source: MPBPVP)

WS: 7.43E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.98 (KowWin est)

Log Kaw used: -8.317 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.337

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8539

Biowin2 (Non-Linear Model) : 0.9284

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1158 (weeks )

Biowin4 (Primary Survey Model) : 3.8183 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5146

Biowin6 (MITI Non-Linear Model): 0.6426

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6752

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 2.12 Pa (0.0159 mm Hg)

Log Koa (Koawin est ): 7.337

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

Mackay model : 1.42E-006

Octanol/air (Koa) model: 5.33E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.11E-005

Mackay model : 0.000113

Octanol/air (Koa) model: 0.000426

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.9805 E-12 cm3/molecule-sec

Half-Life = 2.687 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 32.245 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.22E-005 (Junge-Pankow, Mackay avg)

0.000426 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.434 L/kg (MCI method)

Log Koc: 0.735 (MCI method)

Koc : 2.344 L/kg (Kow method)

Log Koc: 0.370 (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) = -1.7187 days (HL = 0.01911 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8979)

Log BAF Arnot-Gobas method (upper trophic) = -0.047 (BAF = 0.8979)

log Kow used: -0.98 (estimated)

Volatilization from Water:

Henry LC: 1.18E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.207E+006 hours (2.169E+005 days)

Half-Life from Model Lake : 5.68E+007 hours (2.367E+006 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 0.00261 64.5 1000

Water 33.5 360 1000

Soil 66.4 720 1000

Sediment 0.069 3.24e+003 0

Persistence Time: 617 hr

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