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CAS Number: 39957-00-1



MOL FOR: C26 H52 N2 O1

MOL WT : 408.72

------------------------------ 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) = 9.69

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

Boiling Pt (deg C): 488.08 (Adapted Stein & Brown method)

Melting Pt (deg C): 205.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.28E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 7.04E-010 (Modified Grain method)

Subcooled liquid VP: 4.31E-010 mm Hg (25 deg C, Mod-Grain method)

: 5.75E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.426e-005

log Kow used: 9.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.7775e-005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.98E-008 atm-m3/mole (2.00E-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: 1.991E-007 atm-m3/mole (2.018E-002 Pa-m3/mole)

VP: 5.28E-012 mm Hg (source: MPBPVP)

WS: 1.43E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.69 (KowWin est)

Log Kaw used: -6.092 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.782

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8201

Biowin2 (Non-Linear Model) : 0.5415

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7543 (weeks )

Biowin4 (Primary Survey Model) : 3.6566 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7844

Biowin6 (MITI Non-Linear Model): 0.8418

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9033

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 5.75E-008 Pa (4.31E-010 mm Hg)

Log Koa (Koawin est ): 15.782

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

Mackay model : 52.2

Octanol/air (Koa) model: 1.49E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 116.5819 E-12 cm3/molecule-sec

Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.101 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.381E+006 L/kg (MCI method)

Log Koc: 6.140 (MCI method)

Koc : 6.429E+005 L/kg (Kow method)

Log Koc: 5.808 (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 = 2.208 (BCF = 161.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3362 days (HL = 21.69 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.964 (BCF = 9.201)

Log BAF Arnot-Gobas method (upper trophic) = 3.613 (BAF = 4102)

log Kow used: 9.69 (estimated)

Volatilization from Water:

Henry LC: 1.98E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.978E+004 hours (2491 days)

Half-Life from Model Lake : 6.523E+005 hours (2.718E+004 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.186 2.2 1000

Water 22.4 360 1000

Soil 73.7 720 1000

Sediment 3.69 3.24e+003 0

Persistence Time: 506 hr

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