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CAS Num: 008023-93-6

SMILES : CC(C)C=NO

CHEM : Oils, honeysuckle

MOL FOR: C4 H9 N1 O1

MOL WT : 87.12

------------------------------ 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) = 0.70

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

Boiling Pt (deg C): 149.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -60.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.36 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 181 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3.175e+004

log Kow used: 0.70 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6838.3 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.04E-005 atm-m3/mole (1.05E+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: 4.910E-006 atm-m3/mole (4.975E-001 Pa-m3/mole)

VP: 1.36 mm Hg (source: MPBPVP)

WS: 3.18E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.70 (KowWin est)

Log Kaw used: -3.371 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.071

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7061

Biowin2 (Non-Linear Model) : 0.8547

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0066 (weeks )

Biowin4 (Primary Survey Model) : 3.7220 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3524

Biowin6 (MITI Non-Linear Model): 0.4625

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3452

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): 163 Pa (1.22 mm Hg)

Log Koa (Koawin est ): 4.071

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

Mackay model : 1.84E-008

Octanol/air (Koa) model: 2.89E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.66E-007

Mackay model : 1.48E-006

Octanol/air (Koa) model: 2.31E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.1070 E-12 cm3/molecule-sec

Half-Life = 2.094 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 25.133 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.07E-006 (Junge-Pankow, Mackay avg)

2.31E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 110.6 L/kg (MCI method)

Log Koc: 2.044 (MCI method)

Koc : 4.047 L/kg (Kow method)

Log Koc: 0.607 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4368 days (HL = 0.03658 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.082 (BCF = 1.207)

Log BAF Arnot-Gobas method (upper trophic) = 0.082 (BAF = 1.207)

log Kow used: 0.70 (estimated)

Volatilization from Water:

Henry LC: 1.04E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 53.5 hours (2.229 days)

Half-Life from Model Lake : 661.9 hours (27.58 days)

Removal In Wastewater Treatment:

Total removal: 2.44 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 percent

Total to Air: 0.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.23 50.3 1000

Water 27 360 1000

Soil 69.6 720 1000

Sediment 0.169 3.24e+003 0

Persistence Time: 449 hr

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