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CAS Number: 123776-56-7

SMILES : CC(=O)NCCCN(CL)(C)(C)C

CHEM :

MOL FOR: C8 H19 CL1 N2 O1

MOL WT : 194.71

------------------------------ 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) = -3.48

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

Boiling Pt (deg C): 468.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 197.88 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.57E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 3.43E-007 (Modified Grain method)

Subcooled liquid VP: 1.7E-007 mm Hg (25 deg C, Mod-Grain method)

: 2.27E-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): 1e+006

log Kow used: -3.48 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 34319 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Amides

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

Bond Method : 2.45E-018 atm-m3/mole (2.49E-013 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: 6.584E-016 atm-m3/mole (6.672E-011 Pa-m3/mole)

VP: 2.57E-009 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -3.48 (KowWin est)

Log Kaw used: -15.999 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.519

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8650

Biowin2 (Non-Linear Model) : 0.9496

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7147 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7723 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4001

Biowin6 (MITI Non-Linear Model): 0.3571

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4098

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): 2.27E-005 Pa (1.7E-007 mm Hg)

Log Koa (Koawin est ): 12.519

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

Mackay model : 0.132

Octanol/air (Koa) model: 0.811

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.827

Mackay model : 0.914

Octanol/air (Koa) model: 0.985

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.2036 E-12 cm3/molecule-sec

Half-Life = 0.408 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.898 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.87 (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 : 15.94 L/kg (MCI method)

Log Koc: 1.203 (MCI method)

Koc : 0.07718 L/kg (Kow method)

Log Koc: -1.113 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.6476 days (HL = 0.002251 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.893)

log Kow used: -3.48 (estimated)

Volatilization from Water:

Henry LC: 2.45E-018 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.335E+014 hours (1.389E+013 days)

Half-Life from Model Lake : 3.638E+015 hours (1.516E+014 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 2.14e-010 9.8 1000

Water 31.1 900 1000

Soil 68.8 1.8e+003 1000

Sediment 0.083 8.1e+003 0

Persistence Time: 1.23e+003 hr

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