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CAS Num: 000693-54-9
SMILES : O=C(CCCCCCCC)C
CHEM : 2-Decanone
MOL FOR: C10 H20 O1
MOL WT : 156.27
------------------------------ 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) = 3.20
Log Kow (Exper. database match) = 3.73
Exper. Ref: TANII,H ET AL. (1986)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 204.79 (Adapted Stein & Brown method)
Melting Pt (deg C): -7.43 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.321 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 42.7 (Mean VP of Antoine & Grain methods)
MP (exp database): 14 deg C
BP (exp database): 210 deg C
VP (exp database): 2.69E-01 mm Hg (3.59E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 46.43
log Kow used: 3.73 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 76.8 mg/L (25 deg C)
Exper. Ref: WASIK,SP ET AL. (1981)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 125.34 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.60E-004 atm-m3/mole (3.65E+001 Pa-m3/mole)
Group Method: 4.45E-004 atm-m3/mole (4.51E+001 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: 1.422E-003 atm-m3/mole (1.440E+002 Pa-m3/mole)
VP: 0.321 mm Hg (source: MPBPVP)
WS: 46.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.73 (exp database)
Log Kaw used: -1.832 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.562
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7884
Biowin2 (Non-Linear Model) : 0.8985
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1297 (weeks )
Biowin4 (Primary Survey Model) : 3.8691 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7117
Biowin6 (MITI Non-Linear Model): 0.8691
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1492
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): 35.9 Pa (0.269 mm Hg)
Log Koa (Koawin est ): 5.562
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.36E-008
Octanol/air (Koa) model: 8.95E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.02E-006
Mackay model : 6.69E-006
Octanol/air (Koa) model: 7.16E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.4123 E-12 cm3/molecule-sec
Half-Life = 0.862 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.341 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.86E-006 (Junge-Pankow, Mackay avg)
7.16E-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 : 1527 L/kg (Kow method)
Log Koc: 3.184 (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 = 2.128 (BCF = 134.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2778 days (HL = 0.5274 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.204 (BCF = 159.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.204 (BAF = 159.9)
log Kow used: 3.73 (expkow database)
Volatilization from Water:
Henry LC: 0.000445 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 2.92 hours
Half-Life from Model Lake : 136.7 hours (5.695 days)
Removal In Wastewater Treatment:
Total removal: 31.57 percent
Total biodegradation: 0.21 percent
Total sludge adsorption: 17.83 percent
Total to Air: 13.53 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 3.82 19.4 1000
Water 24.1 360 1000
Soil 71.9 720 1000
Sediment 0.2 3.24e+003 0
Persistence Time: 318 hr