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CAS Num: 007399-50-0
SMILES : n(c(ccc1)C(CC)CC)c1
CHEM : Pyridine, 2-(1-ethylpropyl)-
MOL FOR: C10 H15 N1
MOL WT : 149.24
------------------------------ 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) = 3.24
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 208.02 (Adapted Stein & Brown method)
Melting Pt (deg C): 10.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.454 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 60.5 (Mean VP of Antoine & Grain methods)
BP (exp database): 195.4 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2595
log Kow used: 3.24 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1660 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.42E-005 atm-m3/mole (2.45E+000 Pa-m3/mole)
Group Method: 3.54E-005 atm-m3/mole (3.58E+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: 3.436E-005 atm-m3/mole (3.481E+000 Pa-m3/mole)
VP: 0.454 mm Hg (source: MPBPVP)
WS: 2.6E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.24 (KowWin est)
Log Kaw used: -3.005 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.245
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5766
Biowin2 (Non-Linear Model) : 0.4572
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5804 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5452 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3574
Biowin6 (MITI Non-Linear Model): 0.3540
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.9069
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): 55.2 Pa (0.414 mm Hg)
Log Koa (Koawin est ): 6.245
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.43E-008
Octanol/air (Koa) model: 4.32E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.96E-006
Mackay model : 4.35E-006
Octanol/air (Koa) model: 3.45E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 6.4450 E-12 cm3/molecule-sec
Half-Life = 1.660 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 19.915 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
3.16E-006 (Junge-Pankow, Mackay avg)
3.45E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1249 L/kg (MCI method)
Log Koc: 3.097 (MCI method)
Koc : 782.7 L/kg (Kow method)
Log Koc: 2.894 (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 = 1.807 (BCF = 64.05 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5060 days (HL = 0.3119 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.881 (BCF = 76.07)
Log BAF Arnot-Gobas method (upper trophic) = 1.881 (BAF = 76.07)
log Kow used: 3.24 (estimated)
Volatilization from Water:
Henry LC: 3.54E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 21.45 hours
Half-Life from Model Lake : 336.4 hours (14.02 days)
Removal In Wastewater Treatment:
Total removal: 10.01 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 8.11 percent
Total to Air: 1.76 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.36 39.8 1000
Water 16.1 900 1000
Soil 81.4 1.8e+003 1000
Sediment 1.12 8.1e+003 0
Persistence Time: 1.03e+003 hr