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CAS Num: 000110-86-1
SMILES : n(cccc1)c1
CHEM : Pyridine
MOL FOR: C5 H5 N1
MOL WT : 79.10
------------------------------ 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) = 0.80
Log Kow (Exper. database match) = 0.65
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 113.36 (Adapted Stein & Brown method)
Melting Pt (deg C): -44.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 19.3 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.58E+003 (Mean VP of Antoine & Grain methods)
MP (exp database): -41.6 deg C
BP (exp database): 115.2 deg C
VP (exp database): 2.08E+01 mm Hg (2.77E+003 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 7.298e+005
log Kow used: 0.65 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)
Exper. Ref: GOE,GL (1978)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.4753e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.05E-006 atm-m3/mole (7.14E-001 Pa-m3/mole)
Group Method: 6.00E-006 atm-m3/mole (6.08E-001 Pa-m3/mole)
Exper Database: 1.10E-05 atm-m3/mole (1.11E+000 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: 2.752E-006 atm-m3/mole (2.789E-001 Pa-m3/mole)
VP: 19.3 mm Hg (source: MPBPVP)
WS: 7.3E+005 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.65 (exp database)
Log Kaw used: -3.347 (exp database)
Log Koa (KOAWIN v1.10 estimate): 3.997
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5553
Biowin2 (Non-Linear Model) : 0.5615
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8102 (weeks )
Biowin4 (Primary Survey Model) : 3.7149 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4844
Biowin6 (MITI Non-Linear Model): 0.5946
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0000
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): 2.77E+003 Pa (20.8 mm Hg)
Log Koa (Koawin est ): 3.997
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.08E-009
Octanol/air (Koa) model: 2.44E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.91E-008
Mackay model : 8.65E-008
Octanol/air (Koa) model: 1.95E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 0.3700 E-12 cm3/molecule-sec
Half-Life = 28.908 Days (12-hr day; 1.5E6 OH/cm3)
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.28E-008 (Junge-Pankow, Mackay avg)
1.95E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 71.72 L/kg (MCI method)
Log Koc: 1.856 (MCI method)
Koc : 28.91 L/kg (Kow method)
Log Koc: 1.461 (Kow method)
Experimental Log Koc: 1.6 (database)
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) = -1.1104 days (HL = 0.07756 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.097 (BCF = 1.25)
Log BAF Arnot-Gobas method (upper trophic) = 0.097 (BAF = 1.25)
log Kow used: 0.65 (expkow database)
Volatilization from Water:
Henry LC: 1.1E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 48.25 hours (2.01 days)
Half-Life from Model Lake : 600.9 hours (25.04 days)
Removal In Wastewater Treatment:
Total removal: 2.47 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.61 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.7 694 1000
Water 27.7 360 1000
Soil 65.5 720 1000
Sediment 0.132 3.24e+003 0
Persistence Time: 459 hr