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CAS Number: 2530-44-1



MOL FOR: C16 H35 N1 O3

MOL WT : 289.46

------------------------------ 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) = 3.13

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

Boiling Pt (deg C): 536.73 (Adapted Stein & Brown method)

Melting Pt (deg C): 229.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.54E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 3.39E-012 (Modified Grain method)

Subcooled liquid VP: 4.04E-012 mm Hg (25 deg C, Mod-Grain method)

: 5.38E-010 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 29.89

log Kow used: 3.13 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.4414 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.56E-016 atm-m3/mole (1.58E-011 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: 3.237E-016 atm-m3/mole (3.279E-011 Pa-m3/mole)

VP: 2.54E-014 mm Hg (source: MPBPVP)

WS: 29.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.13 (KowWin est)

Log Kaw used: -14.195 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 17.325

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0356

Biowin2 (Non-Linear Model) : 0.9516

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1778 (weeks )

Biowin4 (Primary Survey Model) : 3.9581 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9057

Biowin6 (MITI Non-Linear Model): 0.9476

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6565

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): 5.39E-010 Pa (4.04E-012 mm Hg)

Log Koa (Koawin est ): 17.325

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

Mackay model : 5.57E+003

Octanol/air (Koa) model: 5.19E+004

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 54.4074 E-12 cm3/molecule-sec

Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.359 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 : 236 L/kg (MCI method)

Log Koc: 2.373 (MCI method)

Koc : 58.63 L/kg (Kow method)

Log Koc: 1.768 (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 = 1.733 (BCF = 54.14 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7978 days (HL = 0.1593 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.653 (BCF = 44.97)

Log BAF Arnot-Gobas method (upper trophic) = 1.653 (BAF = 44.97)

log Kow used: 3.13 (estimated)

Volatilization from Water:

Henry LC: 1.56E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.385E+012 hours (2.661E+011 days)

Half-Life from Model Lake : 6.966E+013 hours (2.902E+012 days)

Removal In Wastewater Treatment:

Total removal: 6.96 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 6.83 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 0.000927 4.72 1000

Water 17.5 360 1000

Soil 82.3 720 1000

Sediment 0.19 3.24e+003 0

Persistence Time: 765 hr

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