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CAS Number: 68890-66-4



MOL FOR: C14 H23 N1 O2

MOL WT : 237.34

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 3.71

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

Boiling Pt (deg C): 379.31 (Adapted Stein & Brown method)

Melting Pt (deg C): 135.91 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.14E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 1.52E-005 (Modified Grain method)

MP (exp database): 108 deg C

Subcooled liquid VP: 7.44E-007 mm Hg (25 deg C, Mod-Grain method)

: 9.92E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 18.75

log Kow used: 3.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 279.77 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 4.06E-010 atm-m3/mole (4.11E-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: 1.899E-009 atm-m3/mole (1.924E-004 Pa-m3/mole)

VP: 1.14E-007 mm Hg (source: MPBPVP)

WS: 18.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.71 (KowWin est)

Log Kaw used: -7.780 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.490

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4506

Biowin2 (Non-Linear Model) : 0.1106

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4625 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3519 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1362

Biowin6 (MITI Non-Linear Model): 0.0468

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1569

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): 9.92E-005 Pa (7.44E-007 mm Hg)

Log Koa (Koawin est ): 11.490

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

Mackay model : 0.0302

Octanol/air (Koa) model: 0.0759

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.522

Mackay model : 0.708

Octanol/air (Koa) model: 0.859

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.9020 E-12 cm3/molecule-sec

Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.691 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 34.222500 E-17 cm3/molecule-sec

Half-Life = 0.033 Days (at 7E11 mol/cm3)

Half-Life = 48.221 Min

Fraction sorbed to airborne particulates (phi):

0.615 (Junge-Pankow, Mackay avg)

0.859 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2327 L/kg (MCI method)

Log Koc: 3.367 (MCI method)

Koc : 894.6 L/kg (Kow method)

Log Koc: 2.952 (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 = 2.117 (BCF = 130.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0228 days (HL = 0.949 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.362 (BCF = 230.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.363 (BAF = 230.4)

log Kow used: 3.71 (estimated)

Volatilization from Water:

Henry LC: 4.06E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.222E+006 hours (9.257E+004 days)

Half-Life from Model Lake : 2.424E+007 hours (1.01E+006 days)

Removal In Wastewater Treatment:

Total removal: 18.76 percent

Total biodegradation: 0.23 percent

Total sludge adsorption: 18.53 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 0.00414 0.649 1000

Water 12.2 900 1000

Soil 86.2 1.8e+003 1000

Sediment 1.61 8.1e+003 0

Persistence Time: 1.68e+003 hr

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