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CAS Num: 019550-54-0

SMILES : OC(CC)CC(CCC=C(C)C)C

CHEM : 8-Decen-3-ol, 5,9-dimethyl-

MOL FOR: C12 H24 O1

MOL WT : 184.32

------------------------------ 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) = 4.46

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

Boiling Pt (deg C): 247.65 (Adapted Stein & Brown method)

Melting Pt (deg C): -2.72 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00379 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.505 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 26.15

log Kow used: 4.46 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 78.819 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.00E-004 atm-m3/mole (1.01E+001 Pa-m3/mole)

Group Method: 7.05E-005 atm-m3/mole (7.15E+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: 3.515E-005 atm-m3/mole (3.562E+000 Pa-m3/mole)

VP: 0.00379 mm Hg (source: MPBPVP)

WS: 26.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.46 (KowWin est)

Log Kaw used: -2.388 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.848

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8185

Biowin2 (Non-Linear Model) : 0.8189

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9518 (weeks )

Biowin4 (Primary Survey Model) : 3.7113 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4291

Biowin6 (MITI Non-Linear Model): 0.4584

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3493

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): 0.488 Pa (0.00366 mm Hg)

Log Koa (Koawin est ): 6.848

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

Mackay model : 6.15E-006

Octanol/air (Koa) model: 1.73E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000222

Mackay model : 0.000492

Octanol/air (Koa) model: 0.000138

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 105.9779 E-12 cm3/molecule-sec

Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.211 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000357 (Junge-Pankow, Mackay avg)

0.000138 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 275.3 L/kg (MCI method)

Log Koc: 2.440 (MCI method)

Koc : 956.3 L/kg (Kow method)

Log Koc: 2.981 (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 = 2.612 (BCF = 409.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0942 days (HL = 1.242 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.648 (BCF = 444.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.649 (BAF = 445.8)

log Kow used: 4.46 (estimated)

Volatilization from Water:

Henry LC: 0.0001 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 9.334 hours

Half-Life from Model Lake : 215.7 hours (8.986 days)

Removal In Wastewater Treatment:

Total removal: 55.33 percent

Total biodegradation: 0.49 percent

Total sludge adsorption: 52.69 percent

Total to Air: 2.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0749 0.506 1000

Water 23.1 360 1000

Soil 76.6 720 1000

Sediment 0.281 3.24e+003 0

Persistence Time: 409 hr

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