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CAS Num: 000996-97-4


CHEM : Octanamide, N,N-diethyl-

MOL FOR: C12 H25 N1 O1

MOL WT : 199.34

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.44

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

Boiling Pt (deg C): 289.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 60.83 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00157 (Modified Grain method)

VP (Pa, 25 deg C) : 0.209 (Modified Grain method)

Subcooled liquid VP: 0.00337 mm Hg (25 deg C, Mod-Grain method)

: 0.45 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 50.51

log Kow used: 3.44 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 102.46 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 5.20E-007 atm-m3/mole (5.27E-002 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: 8.153E-006 atm-m3/mole (8.261E-001 Pa-m3/mole)

VP: 0.00157 mm Hg (source: MPBPVP)

WS: 50.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.44 (KowWin est)

Log Kaw used: -4.672 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.112

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9712

Biowin2 (Non-Linear Model) : 0.9911

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0028 (weeks )

Biowin4 (Primary Survey Model) : 4.0346 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6423

Biowin6 (MITI Non-Linear Model): 0.7597

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0803

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): 0.449 Pa (0.00337 mm Hg)

Log Koa (Koawin est ): 8.112

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

Mackay model : 6.68E-006

Octanol/air (Koa) model: 3.18E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000241

Mackay model : 0.000534

Octanol/air (Koa) model: 0.00254

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.8906 E-12 cm3/molecule-sec

Half-Life = 0.316 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.787 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000387 (Junge-Pankow, Mackay avg)

0.00254 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 466.6 L/kg (MCI method)

Log Koc: 2.669 (MCI method)

Koc : 603.3 L/kg (Kow method)

Log Koc: 2.781 (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 v3.00):

Log BCF from regression-based method = 1.939 (BCF = 86.94 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6221 days (HL = 0.2387 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.874 (BCF = 74.74)

Log BAF Arnot-Gobas method (upper trophic) = 1.874 (BAF = 74.74)

log Kow used: 3.44 (estimated)

Volatilization from Water:

Henry LC: 5.2E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1591 hours (66.3 days)

Half-Life from Model Lake : 1.748E+004 hours (728.2 days)

Removal In Wastewater Treatment:

Total removal: 11.76 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 11.56 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.66 7.57 1000

Water 24.7 360 1000

Soil 74.2 720 1000

Sediment 0.459 3.24e+003 0

Persistence Time: 474 hr

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