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CAS Number:

SMILES : CC1CCC(C(C1)N2CC(CC2(=O))C(=O)N3CCC3)C(C)C

CHEM :

MOL FOR: C18 H30 N2 O2

MOL WT : 306.45

------------------------------ 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) = 2.89

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 439.36 (Adapted Stein & Brown method)

Melting Pt (deg C): 176.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.42E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 3.23E-006 (Modified Grain method)

Subcooled liquid VP: 9.02E-007 mm Hg (25 deg C, Mod-Grain method)

: 0.00012 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 37.94

log Kow used: 2.89 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 843.1 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Amides

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 1.21E-010 atm-m3/mole (1.23E-005 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: 2.572E-010 atm-m3/mole (2.606E-005 Pa-m3/mole)

VP: 2.42E-008 mm Hg (source: MPBPVP)

WS: 37.9 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.89 (KowWin est)

Log Kaw used: -8.306 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.196

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0220

Biowin2 (Non-Linear Model) : 0.9827

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4135 (weeks-months)

Biowin4 (Primary Survey Model) : 3.8165 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2119

Biowin6 (MITI Non-Linear Model): 0.0385

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.5065

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): 0.00012 Pa (9.02E-007 mm Hg)

Log Koa (Koawin est ): 11.196

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.0249

Octanol/air (Koa) model: 0.0385

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.474

Mackay model : 0.666

Octanol/air (Koa) model: 0.755

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 74.5128 E-12 cm3/molecule-sec

Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.723 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.57 (Junge-Pankow, Mackay avg)

0.755 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 317.8 L/kg (MCI method)

Log Koc: 2.502 (MCI method)

Koc : 123.9 L/kg (Kow method)

Log Koc: 2.093 (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 = 1.577 (BCF = 37.76 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2591 days (HL = 0.05507 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.246 (BCF = 17.62)

Log BAF Arnot-Gobas method (upper trophic) = 1.246 (BAF = 17.62)

log Kow used: 2.89 (estimated)

Volatilization from Water:

Henry LC: 1.21E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.47E+006 hours (3.529E+005 days)

Half-Life from Model Lake : 9.241E+007 hours (3.85E+006 days)

Removal In Wastewater Treatment:

Total removal: 4.86 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 4.74 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 0.00202 3.44 1000

Water 13.4 900 1000

Soil 86.4 1.8e+003 1000

Sediment 0.239 8.1e+003 0

Persistence Time: 1.74e+003 hr

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