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CAS Number: 1733-93-3



MOL FOR: C18 H39 N1 O3

MOL WT : 317.52

------------------------------ 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) = 3.63

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

Boiling Pt (deg C): 421.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 153.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.38E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.12E-007 (Modified Grain method)

Subcooled liquid VP: 1.72E-008 mm Hg (25 deg C, Mod-Grain method)

: 2.29E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 79.11

log Kow used: 3.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 551.8 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

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

Bond Method : 3.02E-011 atm-m3/mole (3.06E-006 Pa-m3/mole)

Group Method: 1.99E-015 atm-m3/mole (2.01E-010 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.426E-012 atm-m3/mole (4.484E-007 Pa-m3/mole)

VP: 8.38E-010 mm Hg (source: MPBPVP)

WS: 79.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.63 (KowWin est)

Log Kaw used: -8.908 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.538

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4697

Biowin2 (Non-Linear Model) : 0.0442

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8523 (weeks )

Biowin4 (Primary Survey Model) : 3.6199 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8469

Biowin6 (MITI Non-Linear Model): 0.8509

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1860

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): 2.29E-006 Pa (1.72E-008 mm Hg)

Log Koa (Koawin est ): 12.538

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

Mackay model : 1.31

Octanol/air (Koa) model: 0.847

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.979

Mackay model : 0.991

Octanol/air (Koa) model: 0.985

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 156.7485 E-12 cm3/molecule-sec

Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.819 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.985 (Junge-Pankow, Mackay avg)

0.985 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 128.3 L/kg (MCI method)

Log Koc: 2.108 (MCI method)

Koc : 89.97 L/kg (Kow method)

Log Koc: 1.954 (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 = 2.059 (BCF = 114.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4759 days (HL = 0.03342 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.159 (BCF = 14.43)

Log BAF Arnot-Gobas method (upper trophic) = 1.159 (BAF = 14.43)

log Kow used: 3.63 (estimated)

Volatilization from Water:

Henry LC: 3.02E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.455E+007 hours (1.439E+006 days)

Half-Life from Model Lake : 3.769E+008 hours (1.57E+007 days)

Removal In Wastewater Treatment:

Total removal: 16.34 percent

Total biodegradation: 0.21 percent

Total sludge adsorption: 16.13 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 0.0265 1.64 1000

Water 20 360 1000

Soil 79.8 720 1000

Sediment 0.139 3.24e+003 0

Persistence Time: 681 hr

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