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CAS Num: 000928-80-3

SMILES : O=C(CC)CCCCCCC

CHEM : 3-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

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): 0.449 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 59.8 (Mean VP of Antoine & Grain methods)

MP (exp database): 2.5 deg C

BP (exp database): 203 deg C

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

Water Solubility at 25 deg C (mg/L): 131

log Kow used: 3.20 (estimated)

no-melting pt equation used

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: 7.048E-004 atm-m3/mole (7.141E+001 Pa-m3/mole)

VP: 0.449 mm Hg (source: MPBPVP)

WS: 131 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.20 (KowWin est)

Log Kaw used: -1.832 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.032

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): 55.1 Pa (0.413 mm Hg)

Log Koa (Koawin est ): 5.032

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

Mackay model : 5.45E-008

Octanol/air (Koa) model: 2.64E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.97E-006

Mackay model : 4.36E-006

Octanol/air (Koa) model: 2.11E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 12.1282 E-12 cm3/molecule-sec

Half-Life = 0.882 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.583 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.16E-006 (Junge-Pankow, Mackay avg)

2.11E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 172.9 L/kg (MCI method)

Log Koc: 2.238 (MCI method)

Koc : 777.5 L/kg (Kow method)

Log Koc: 2.891 (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 = 1.780 (BCF = 60.28 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4399 days (HL = 0.3632 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.900 (BCF = 79.42)

Log BAF Arnot-Gobas method (upper trophic) = 1.900 (BAF = 79.42)

log Kow used: 3.20 (estimated)

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: 22.64 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 7.01 percent

Total to Air: 15.51 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4 21.2 1000

Water 23.8 360 1000

Soil 72 720 1000

Sediment 0.204 3.24e+003 0

Persistence Time: 322 hr

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