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CAS Num: 024089-00-7

SMILES : OC(C=C)(CCCCC)C

CHEM : 1-Octen-3-ol, 3-methyl-

MOL FOR: C9 H18 O1

MOL WT : 142.24

------------------------------ 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) = 3.05

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

Boiling Pt (deg C): 183.15 (Adapted Stein & Brown method)

Melting Pt (deg C): -13.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.201 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 26.8 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 660.2

log Kow used: 3.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 619.49 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 3.07E-005 atm-m3/mole (3.11E+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: 5.698E-005 atm-m3/mole (5.774E+000 Pa-m3/mole)

VP: 0.201 mm Hg (source: MPBPVP)

WS: 660 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.05 (KowWin est)

Log Kaw used: -2.901 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.951

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6043

Biowin2 (Non-Linear Model) : 0.7520

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9711 (weeks )

Biowin4 (Primary Survey Model) : 3.7581 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5736

Biowin6 (MITI Non-Linear Model): 0.6594

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0916

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): 23.9 Pa (0.179 mm Hg)

Log Koa (Koawin est ): 5.951

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

Mackay model : 1.26E-007

Octanol/air (Koa) model: 2.19E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.54E-006

Mackay model : 1.01E-005

Octanol/air (Koa) model: 1.75E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.4645 E-12 cm3/molecule-sec

Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.619 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

7.3E-006 (Junge-Pankow, Mackay avg)

1.75E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 49.09 L/kg (MCI method)

Log Koc: 1.691 (MCI method)

Koc : 158.7 L/kg (Kow method)

Log Koc: 2.201 (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 = 1.679 (BCF = 47.72 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3455 days (HL = 0.4513 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.859 (BCF = 72.19)

Log BAF Arnot-Gobas method (upper trophic) = 1.859 (BAF = 72.2)

log Kow used: 3.05 (estimated)

Volatilization from Water:

Henry LC: 3.07E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 23.96 hours

Half-Life from Model Lake : 361.4 hours (15.06 days)

Removal In Wastewater Treatment:

Total removal: 7.66 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 5.95 percent

Total to Air: 1.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.923 6.92 1000

Water 30.4 360 1000

Soil 68.5 720 1000

Sediment 0.117 3.24e+003 0

Persistence Time: 390 hr

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