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CAS Number: 81783-01-9

SMILES : CC(C)C(=NO)C(C)(C)CC=C(C)C=C

CHEM : (NE)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine

MOL FOR: C13 H23 N1 O1

MOL WT : 209.33

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

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 v1.67 estimate) = 5.63

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

Boiling Pt (deg C): 292.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000213 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0284 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.6053

log Kow used: 5.63 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.1007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 8.36E-005 atm-m3/mole (8.47E+000 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: 9.692E-005 atm-m3/mole (9.821E+000 Pa-m3/mole)

VP: 0.000213 mm Hg (source: MPBPVP)

WS: 0.605 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.63 (KowWin est)

Log Kaw used: -2.466 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.096

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4640

Biowin2 (Non-Linear Model) : 0.1562

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5244 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3923 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1825

Biowin6 (MITI Non-Linear Model): 0.0706

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3300

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): 0.0284 Pa (0.000213 mm Hg)

Log Koa (Koawin est ): 8.096

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

Mackay model : 0.000106

Octanol/air (Koa) model: 3.06E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0038

Mackay model : 0.00838

Octanol/air (Koa) model: 0.00244

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 146.3401 E-12 cm3/molecule-sec

Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.877 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 18.000000 E-17 cm3/molecule-sec

Half-Life = 0.064 Days (at 7E11 mol/cm3)

Half-Life = 1.528 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00609 (Junge-Pankow, Mackay avg)

0.00244 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.475E+004 L/kg (MCI method)

Log Koc: 4.169 (MCI method)

Koc : 7.689E+004 L/kg (Kow method)

Log Koc: 4.886 (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 = 3.384 (BCF = 2421 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8130 days (HL = 6.501 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.347 (BCF = 2224)

Log BAF Arnot-Gobas method (upper trophic) = 3.597 (BAF = 3953)

log Kow used: 5.63 (estimated)

Volatilization from Water:

Henry LC: 8.36E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 11.61 hours

Half-Life from Model Lake : 248 hours (10.33 days)

Removal In Wastewater Treatment:

Total removal: 89.76 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 88.81 percent

Total to Air: 0.20 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0437 0.817 1000

Water 12.2 900 1000

Soil 77.6 1.8e+003 1000

Sediment 10.2 8.1e+003 0

Persistence Time: 1.11e+003 hr

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