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CAS Number: 41123-49-3

SMILES : CCCCCCCCCCCCCN(CL)(C)(C)CCCCCCCCCCCCC

CHEM :

MOL FOR: C28 H60 CL1 N1

MOL WT : 446.25

------------------------------ 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) = 7.60

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

Boiling Pt (deg C): 604.32 (Adapted Stein & Brown method)

Melting Pt (deg C): 261.33 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.48E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 1.97E-011 (Modified Grain method)

Subcooled liquid VP: 5.69E-011 mm Hg (25 deg C, Mod-Grain method)

: 7.58E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.000504

log Kow used: 7.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.4625e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.75E-009 atm-m3/mole (3.80E-004 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: 1.724E-010 atm-m3/mole (1.747E-005 Pa-m3/mole)

VP: 1.48E-013 mm Hg (source: MPBPVP)

WS: 0.000504 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.60 (KowWin est)

Log Kaw used: -6.814 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.414

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7520

Biowin2 (Non-Linear Model) : 0.5889

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8097 (weeks )

Biowin4 (Primary Survey Model) : 3.7420 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5629

Biowin6 (MITI Non-Linear Model): 0.5704

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0684

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): 7.59E-009 Pa (5.69E-011 mm Hg)

Log Koa (Koawin est ): 14.414

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

Mackay model : 395

Octanol/air (Koa) model: 63.7

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 = 54.7908 E-12 cm3/molecule-sec

Half-Life = 0.195 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.343 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 : 1.776E+007 L/kg (MCI method)

Log Koc: 7.250 (MCI method)

Koc : 1.101E+005 L/kg (Kow method)

Log Koc: 5.042 (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 = 1.850 (BCF = 70.79 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2850 days (HL = 19.28 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.871 (BCF = 743.4)

Log BAF Arnot-Gobas method (upper trophic) = 5.197 (BAF = 1.575e+005)

log Kow used: 7.60 (estimated)

Volatilization from Water:

Henry LC: 3.75E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.298E+005 hours (1.374E+004 days)

Half-Life from Model Lake : 3.598E+006 hours (1.499E+005 days)

Removal In Wastewater Treatment:

Total removal: 93.99 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.21 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 0.137 4.68 1000

Water 3.7 360 1000

Soil 30.6 720 1000

Sediment 65.6 3.24e+003 0

Persistence Time: 1.29e+003 hr

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