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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