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CAS Num: 018409-20-6


CHEM : 2,4-Octadien-1-ol, (E,E)-

MOL FOR: C8 H14 O1

MOL WT : 126.20

------------------------------ 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) = 2.38

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

Boiling Pt (deg C): 212.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -16.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.034 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.53 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2882

log Kow used: 2.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3637.3 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 : 1.95E-005 atm-m3/mole (1.98E+000 Pa-m3/mole)

Group Method: 5.11E-006 atm-m3/mole (5.18E-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: 1.959E-006 atm-m3/mole (1.985E-001 Pa-m3/mole)

VP: 0.034 mm Hg (source: MPBPVP)

WS: 2.88E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.38 (KowWin est)

Log Kaw used: -3.098 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.478

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9546

Biowin2 (Non-Linear Model) : 0.9849

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3786 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0642 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6712

Biowin6 (MITI Non-Linear Model): 0.7873

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3554

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): 4.12 Pa (0.0309 mm Hg)

Log Koa (Koawin est ): 5.478

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

Mackay model : 7.28E-007

Octanol/air (Koa) model: 7.38E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.63E-005

Mackay model : 5.82E-005

Octanol/air (Koa) model: 5.9E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 147.8739 E-12 cm3/molecule-sec

Half-Life = 0.072 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.868 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 32.000000 E-17 cm3/molecule-sec

Half-Life = 0.036 Days (at 7E11 mol/cm3)

Half-Life = 51.570 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

4.23E-005 (Junge-Pankow, Mackay avg)

5.9E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 38.28 L/kg (MCI method)

Log Koc: 1.583 (MCI method)

Koc : 67.62 L/kg (Kow method)

Log Koc: 1.830 (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 = 1.234 (BCF = 17.15 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4450 days (HL = 0.3589 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.331 (BCF = 21.44)

Log BAF Arnot-Gobas method (upper trophic) = 1.331 (BAF = 21.44)

log Kow used: 2.38 (estimated)

Volatilization from Water:

Henry LC: 1.95E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 34.88 hours (1.453 days)

Half-Life from Model Lake : 474.7 hours (19.78 days)

Removal In Wastewater Treatment:

Total removal: 3.84 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.68 percent

Total to Air: 1.06 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.12 0.575 1000

Water 32.5 208 1000

Soil 67.3 416 1000

Sediment 0.101 1.87e+003 0

Persistence Time: 251 hr

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