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CAS Num: 010519-33-2
SMILES : O=C(C=CCCCCCC)C
CHEM : 3-Decen-2-one
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.28
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 210.81 (Adapted Stein & Brown method)
Melting Pt (deg C): -8.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.308 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 41.1 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 115.7
log Kow used: 3.28 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 30.971 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Ketones
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.69E-004 atm-m3/mole (1.71E+001 Pa-m3/mole)
Group Method: 9.09E-005 atm-m3/mole (9.21E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 5.403E-004 atm-m3/mole (5.475E+001 Pa-m3/mole)
VP: 0.308 mm Hg (source: MPBPVP)
WS: 116 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.28 (KowWin est)
Log Kaw used: -2.161 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.441
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7894
Biowin2 (Non-Linear Model) : 0.9011
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1341 (weeks )
Biowin4 (Primary Survey Model) : 3.8720 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6313
Biowin6 (MITI Non-Linear Model): 0.7594
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0498
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): 38 Pa (0.285 mm Hg)
Log Koa (Koawin est ): 5.441
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.89E-008
Octanol/air (Koa) model: 6.78E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.85E-006
Mackay model : 6.32E-006
Octanol/air (Koa) model: 5.42E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 57.5661 E-12 cm3/molecule-sec [Cis-isomer]
OVERALL OH Rate Constant = 64.4061 E-12 cm3/molecule-sec [Trans-isomer]
Half-Life = 2.230 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
Half-Life = 1.993 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.535625 E-17 cm3/molecule-sec [Cis-]
OVERALL Ozone Rate Constant = 3.071250 E-17 cm3/molecule-sec [Trans-]
Half-Life = 17.911 Hrs (at 7E11 mol/cm3) [Cis-isomer]
Half-Life = 8.955 Hrs (at 7E11 mol/cm3) [Trans-isomer]
Fraction sorbed to airborne particulates (phi):
4.58E-006 (Junge-Pankow, Mackay avg)
5.42E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 165.2 L/kg (MCI method)
Log Koc: 2.218 (MCI method)
Koc : 860.9 L/kg (Kow method)
Log Koc: 2.935 (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 = 1.829 (BCF = 67.41 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2628 days (HL = 0.546 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.026 (BCF = 106.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.026 (BAF = 106.3)
log Kow used: 3.28 (estimated)
Volatilization from Water:
Henry LC: 9.09E-005 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 9.267 hours
Half-Life from Model Lake : 205.2 hours (8.551 days)
Removal In Wastewater Treatment:
Total removal: 12.86 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 8.56 percent
Total to Air: 4.15 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.526 3.57 1000
Water 24.5 360 1000
Soil 74.8 720 1000
Sediment 0.203 3.24e+003 0
Persistence Time: 398 hr