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CAS Number: 597532-53-1
SMILES : CCCCCN1C(COC1(=O))C
CHEM :
MOL FOR: C9 H17 N1 O2
MOL WT : 171.24
------------------------------ 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) = 2.63
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 284.37 (Adapted Stein & Brown method)
Melting Pt (deg C): 51.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00255 (Modified Grain method)
VP (Pa, 25 deg C) : 0.34 (Modified Grain method)
Subcooled liquid VP: 0.00446 mm Hg (25 deg C, Mod-Grain method)
: 0.594 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 341
log Kow used: 2.63 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 520.34 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Carbamate Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.47E-007 atm-m3/mole (3.51E-002 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: 1.685E-006 atm-m3/mole (1.707E-001 Pa-m3/mole)
VP: 0.00255 mm Hg (source: MPBPVP)
WS: 341 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.63 (KowWin est)
Log Kaw used: -4.848 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.478
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8540
Biowin2 (Non-Linear Model) : 0.9686
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0724 (weeks )
Biowin4 (Primary Survey Model) : 4.0634 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3899
Biowin6 (MITI Non-Linear Model): 0.4663
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3826
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): 0.595 Pa (0.00446 mm Hg)
Log Koa (Koawin est ): 7.478
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 5.04E-006
Octanol/air (Koa) model: 7.38E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000182
Mackay model : 0.000403
Octanol/air (Koa) model: 0.00059
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 30.6086 E-12 cm3/molecule-sec
Half-Life = 0.349 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.193 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000293 (Junge-Pankow, Mackay avg)
0.00059 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 163.4 L/kg (MCI method)
Log Koc: 2.213 (MCI method)
Koc : 179.4 L/kg (Kow method)
Log Koc: 2.254 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 1.030E-013 L/mol-sec
Kb Half-Life at pH 8: 2.133E+011 years
Kb Half-Life at pH 7: 2.133E+012 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.406 (BCF = 25.44 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.2130 days (HL = 0.06123 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.189 (BCF = 15.45)
Log BAF Arnot-Gobas method (upper trophic) = 1.189 (BAF = 15.45)
log Kow used: 2.63 (estimated)
Volatilization from Water:
Henry LC: 3.47E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2209 hours (92.05 days)
Half-Life from Model Lake : 2.421E+004 hours (1009 days)
Removal In Wastewater Treatment:
Total removal: 3.54 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 3.42 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.71 8.39 1000
Water 25.9 360 1000
Soil 73.2 720 1000
Sediment 0.213 3.24e+003 0
Persistence Time: 472 hr