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CAS Number: 880-09-1
SMILES : N(CCCC1)(C1)CN(CCCC2)C2
CHEM : Piperidine, 1,1'-methylenebis-
MOL FOR: C11 H22 N2
MOL WT : 182.31
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 1.97
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 257.32 (Adapted Stein & Brown method)
Melting Pt (deg C): 60.43 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00854 (Modified Grain method)
VP (Pa, 25 deg C) : 1.14 (Modified Grain method)
Subcooled liquid VP: 0.0183 mm Hg (25 deg C, Mod-Grain method)
: 2.43 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1.143e+004
log Kow used: 1.97 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.9201e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.09E-006 atm-m3/mole (6.18E-001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.792E-007 atm-m3/mole (1.816E-002 Pa-m3/mole)
VP: 0.00854 mm Hg (source: MPBPVP)
WS: 1.14E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.97 (KowWin est)
Log Kaw used: -3.604 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.574
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.2502
Biowin2 (Non-Linear Model) : 0.0175
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2867 (weeks-months)
Biowin4 (Primary Survey Model) : 3.0087 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2468
Biowin6 (MITI Non-Linear Model): 0.1649
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.4878
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): 2.44 Pa (0.0183 mm Hg)
Log Koa (Koawin est ): 5.574
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.23E-006
Octanol/air (Koa) model: 9.2E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.44E-005
Mackay model : 9.84E-005
Octanol/air (Koa) model: 7.36E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 263.9961 E-12 cm3/molecule-sec
Half-Life = 0.041 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 29.171 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.14E-005 (Junge-Pankow, Mackay avg)
7.36E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 484.8 L/kg (MCI method)
Log Koc: 2.686 (MCI method)
Koc : 76.57 L/kg (Kow method)
Log Koc: 1.884 (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 = 0.964 (BCF = 9.215 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.9793 days (HL = 0.01049 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.426 (BCF = 2.665)
Log BAF Arnot-Gobas method (upper trophic) = 0.426 (BAF = 2.665)
log Kow used: 1.97 (estimated)
Volatilization from Water:
Henry LC: 6.09E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 131.2 hours (5.466 days)
Half-Life from Model Lake : 1544 hours (64.35 days)
Removal In Wastewater Treatment:
Total removal: 2.55 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.12 percent
Total to Air: 0.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0481 0.972 1000
Water 19 900 1000
Soil 80.4 1.8e+003 1000
Sediment 0.51 8.1e+003 0
Persistence Time: 1.01e+003 hr