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CAS Number: 106-52-5
SMILES : OC(CCN(C1)C)C1
CHEM : 4-Piperidinol, 1-methyl-
MOL FOR: C6 H13 N1 O1
MOL WT : 115.18
------------------------------ EPI SUMMARY (v4.10) --------------------------
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 v1.68 estimate) = -0.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 186.34 (Adapted Stein & Brown method)
Melting Pt (deg C): 9.85 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.061 (Modified Grain method)
VP (Pa, 25 deg C) : 8.13 (Modified Grain method)
MP (exp database): 29 deg C
BP (exp database): 200 deg C
Subcooled liquid VP: 0.0662 mm Hg (25 deg C, Mod-Grain method)
: 8.83 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -0.14 (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:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.38E-009 atm-m3/mole (1.40E-004 Pa-m3/mole)
Group Method: 5.73E-010 atm-m3/mole (5.81E-005 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: 9.245E-009 atm-m3/mole (9.367E-004 Pa-m3/mole)
VP: 0.061 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: -0.14 (KowWin est)
Log Kaw used: -7.249 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.109
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6462
Biowin2 (Non-Linear Model) : 0.5666
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8498 (weeks )
Biowin4 (Primary Survey Model) : 3.5230 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5376
Biowin6 (MITI Non-Linear Model): 0.5501
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6262
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): 8.83 Pa (0.0662 mm Hg)
Log Koa (Koawin est ): 7.109
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.4E-007
Octanol/air (Koa) model: 3.16E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.23E-005
Mackay model : 2.72E-005
Octanol/air (Koa) model: 0.000252
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 101.8715 E-12 cm3/molecule-sec
Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.260 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.97E-005 (Junge-Pankow, Mackay avg)
0.000252 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4.152 L/kg (MCI method)
Log Koc: 0.618 (MCI method)
Koc : 2.349 L/kg (Kow method)
Log Koc: 0.371 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.0768 days (HL = 0.008378 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.040 (BCF = 0.9124)
Log BAF Arnot-Gobas method (upper trophic) = -0.040 (BAF = 0.9124)
log Kow used: -0.14 (estimated)
Volatilization from Water:
Henry LC: 5.73E-010 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.097E+006 hours (4.569E+004 days)
Half-Life from Model Lake : 1.196E+007 hours (4.985E+005 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 0.0123 2.52 1000
Water 34.9 360 1000
Soil 65.1 720 1000
Sediment 0.0699 3.24e+003 0
Persistence Time: 595 hr