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CAS Number: 28125-84-0
SMILES : CCOC(=O)C1=CCCN(C1)C
CHEM :
MOL FOR: C9 H15 N1 O2
MOL WT : 169.23
------------------------------ 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) = 1.27
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 228.73 (Adapted Stein & Brown method)
Melting Pt (deg C): 38.65 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0592 (Modified Grain method)
VP (Pa, 25 deg C) : 7.89 (Modified Grain method)
Subcooled liquid VP: 0.0786 mm Hg (25 deg C, Mod-Grain method)
: 10.5 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 5.175e+004
log Kow used: 1.27 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.3076e+005 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Aliphatic Amines
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.59E-008 atm-m3/mole (6.68E-003 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: 2.547E-007 atm-m3/mole (2.581E-002 Pa-m3/mole)
VP: 0.0592 mm Hg (source: MPBPVP)
WS: 5.18E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.27 (KowWin est)
Log Kaw used: -5.570 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.840
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6359
Biowin2 (Non-Linear Model) : 0.9215
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7106 (weeks-months)
Biowin4 (Primary Survey Model) : 3.5445 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5832
Biowin6 (MITI Non-Linear Model): 0.6114
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.6336
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): 10.5 Pa (0.0786 mm Hg)
Log Koa (Koawin est ): 6.840
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.86E-007
Octanol/air (Koa) model: 1.7E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.03E-005
Mackay model : 2.29E-005
Octanol/air (Koa) model: 0.000136
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 119.8605 E-12 cm3/molecule-sec
Half-Life = 0.089 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.071 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
1.66E-005 (Junge-Pankow, Mackay avg)
0.000136 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 45.19 L/kg (MCI method)
Log Koc: 1.655 (MCI method)
Koc : 31.38 L/kg (Kow method)
Log Koc: 1.497 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.954E-003 L/mol-sec
Kb Half-Life at pH 8: 11.238 years
Kb Half-Life at pH 7: 112.381 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.507 (BCF = 3.21 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.2214 days (HL = 0.006006 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.105 (BCF = 1.272)
Log BAF Arnot-Gobas method (upper trophic) = 0.105 (BAF = 1.272)
log Kow used: 1.27 (estimated)
Volatilization from Water:
Henry LC: 6.59E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.156E+004 hours (481.6 days)
Half-Life from Model Lake : 1.262E+005 hours (5259 days)
Removal In Wastewater Treatment:
Total removal: 1.92 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.83 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 0.0721 1.36 1000
Water 29.3 900 1000
Soil 70.5 1.8e+003 1000
Sediment 0.119 8.1e+003 0
Persistence Time: 859 hr