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CAS Number:



MOL FOR: C19 H32 N2 O2

MOL WT : 320.48

------------------------------ 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) = 3.42

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

Boiling Pt (deg C): 450.79 (Adapted Stein & Brown method)

Melting Pt (deg C): 187.56 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.36E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.25E-006 (Modified Grain method)

Subcooled liquid VP: 4.7E-007 mm Hg (25 deg C, Mod-Grain method)

: 6.26E-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): 11.13

log Kow used: 3.42 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 579.88 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 1.61E-010 atm-m3/mole (1.63E-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: 3.546E-010 atm-m3/mole (3.593E-005 Pa-m3/mole)

VP: 9.36E-009 mm Hg (source: MPBPVP)

WS: 11.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.42 (KowWin est)

Log Kaw used: -8.182 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.602

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8313

Biowin2 (Non-Linear Model) : 0.8926

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1704 (months )

Biowin4 (Primary Survey Model) : 3.6428 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3154

Biowin6 (MITI Non-Linear Model): 0.0744

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.9544

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): 6.27E-005 Pa (4.7E-007 mm Hg)

Log Koa (Koawin est ): 11.602

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

Mackay model : 0.0479

Octanol/air (Koa) model: 0.0982

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.634

Mackay model : 0.793

Octanol/air (Koa) model: 0.887

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.4090 E-12 cm3/molecule-sec

Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.702 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.713 (Junge-Pankow, Mackay avg)

0.887 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 517.9 L/kg (MCI method)

Log Koc: 2.714 (MCI method)

Koc : 243.4 L/kg (Kow method)

Log Koc: 2.386 (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 = 1.925 (BCF = 84.09 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0604 days (HL = 0.08702 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.514 (BCF = 32.69)

Log BAF Arnot-Gobas method (upper trophic) = 1.514 (BAF = 32.69)

log Kow used: 3.42 (estimated)

Volatilization from Water:

Henry LC: 1.61E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.51E+006 hours (2.713E+005 days)

Half-Life from Model Lake : 7.102E+007 hours (2.959E+006 days)

Removal In Wastewater Treatment:

Total removal: 11.34 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 11.17 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 0.00264 3.4 1000

Water 10.4 1.44e+003 1000

Soil 89.2 2.88e+003 1000

Sediment 0.332 1.3e+004 0

Persistence Time: 2.67e+003 hr

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