This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 586-98-1
SMILES : OCc1ccccn1
CHEM : 2-Pyridinemethanol
MOL FOR: C6 H7 N1 O1
MOL WT : 109.13
------------------------------ 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 v1.67 estimate) = -0.11
Log Kow (Exper. database match) = 0.06
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 214.76 (Adapted Stein & Brown method)
Melting Pt (deg C): 27.37 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.026 (Modified Grain method)
VP (Pa, 25 deg C) : 3.47 (Modified Grain method)
BP (exp database): 112 @ 16 mm Hg deg C
Subcooled liquid VP: 0.0273 mm Hg (25 deg C, Mod-Grain method)
: 3.64 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: 0.06 (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 v1.00):
Class(es) found:
Benzyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.85E-010 atm-m3/mole (2.88E-005 Pa-m3/mole)
Group Method: 6.74E-011 atm-m3/mole (6.83E-006 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: 3.733E-009 atm-m3/mole (3.783E-004 Pa-m3/mole)
VP: 0.026 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.06 (exp database)
Log Kaw used: -7.934 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.994
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6998
Biowin2 (Non-Linear Model) : 0.7189
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9038 (weeks )
Biowin4 (Primary Survey Model) : 3.8010 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4923
Biowin6 (MITI Non-Linear Model): 0.5684
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.2209
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): 3.64 Pa (0.0273 mm Hg)
Log Koa (Koawin est ): 7.994
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.24E-007
Octanol/air (Koa) model: 2.42E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.98E-005
Mackay model : 6.59E-005
Octanol/air (Koa) model: 0.00193
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 4.3284 E-12 cm3/molecule-sec
Half-Life = 2.471 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 29.653 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.78E-005 (Junge-Pankow, Mackay avg)
0.00193 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10.56 L/kg (MCI method)
Log Koc: 1.024 (MCI method)
Koc : 5.287 L/kg (Kow method)
Log Koc: 0.723 (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) = -2.0331 days (HL = 0.009265 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.033 (BCF = 0.9259)
Log BAF Arnot-Gobas method (upper trophic) = -0.033 (BAF = 0.9259)
log Kow used: 0.06 (expkow database)
Volatilization from Water:
Henry LC: 6.74E-011 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 9.075E+006 hours (3.781E+005 days)
Half-Life from Model Lake : 9.9E+007 hours (4.125E+006 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 0.00143 59.3 1000
Water 30.3 360 1000
Soil 69.7 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 643 hr