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CAS Number: 493-10-7
SMILES : C1CCN2CCCCC2C1
CHEM :
MOL FOR: C9 H17 N1
MOL WT : 139.24
------------------------------ 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) = 2.69
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 189.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 6.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.622 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 82.9 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 4360
log Kow used: 2.69 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15209 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.89E-005 atm-m3/mole (3.94E+000 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: 2.614E-005 atm-m3/mole (2.648E+000 Pa-m3/mole)
VP: 0.622 mm Hg (source: MPBPVP)
WS: 4.36E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.69 (KowWin est)
Log Kaw used: -2.799 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.489
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4760
Biowin2 (Non-Linear Model) : 0.2330
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6367 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3588 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3833
Biowin6 (MITI Non-Linear Model): 0.3610
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1594
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): 75.5 Pa (0.566 mm Hg)
Log Koa (Koawin est ): 5.489
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.98E-008
Octanol/air (Koa) model: 7.57E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.44E-006
Mackay model : 3.18E-006
Octanol/air (Koa) model: 6.05E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 63.1421 E-12 cm3/molecule-sec
Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.033 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.31E-006 (Junge-Pankow, Mackay avg)
6.05E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 355.3 L/kg (MCI method)
Log Koc: 2.551 (MCI method)
Koc : 222.7 L/kg (Kow method)
Log Koc: 2.348 (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 = 1.440 (BCF = 27.53 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4210 days (HL = 0.3793 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.584 (BCF = 38.37)
Log BAF Arnot-Gobas method (upper trophic) = 1.584 (BAF = 38.37)
log Kow used: 2.69 (estimated)
Volatilization from Water:
Henry LC: 3.89E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 18.96 hours
Half-Life from Model Lake : 305.8 hours (12.74 days)
Removal In Wastewater Treatment:
Total removal: 5.74 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.61 percent
Total to Air: 2.03 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.241 4.07 1000
Water 18 900 1000
Soil 81.4 1.8e+003 1000
Sediment 0.357 8.1e+003 0
Persistence Time: 937 hr