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CAS Number: 64677-46-9

SMILES : CCCCCC=CC(CC=C)O

CHEM : undeca-1,5-dien-4-ol

MOL FOR: C11 H20 O1

MOL WT : 168.28

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.85

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

Boiling Pt (deg C): 244.13 (Adapted Stein & Brown method)

Melting Pt (deg C): 4.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00475 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.633 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 103.7

log Kow used: 3.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 93.094 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 : 4.76E-005 atm-m3/mole (4.82E+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: 1.014E-005 atm-m3/mole (1.028E+000 Pa-m3/mole)

VP: 0.00475 mm Hg (source: MPBPVP)

WS: 104 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.85 (KowWin est)

Log Kaw used: -2.711 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.561

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9346

Biowin2 (Non-Linear Model) : 0.9729

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2856 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0035 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6004

Biowin6 (MITI Non-Linear Model): 0.7071

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1680

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): 0.607 Pa (0.00455 mm Hg)

Log Koa (Koawin est ): 6.561

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

Mackay model : 4.95E-006

Octanol/air (Koa) model: 8.93E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000179

Mackay model : 0.000395

Octanol/air (Koa) model: 7.15E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.6315 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 105.2315 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.315 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.220 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 14.200000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 21.200001 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.937 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.297 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000287 (Junge-Pankow, Mackay avg)

7.15E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 204 L/kg (MCI method)

Log Koc: 2.310 (MCI method)

Koc : 439.8 L/kg (Kow method)

Log Koc: 2.643 (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 = 2.210 (BCF = 162.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1426 days (HL = 0.7202 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.336 (BCF = 216.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.336 (BAF = 216.6)

log Kow used: 3.85 (estimated)

Volatilization from Water:

Henry LC: 4.76E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 17.28 hours

Half-Life from Model Lake : 297.3 hours (12.39 days)

Removal In Wastewater Treatment:

Total removal: 25.38 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 23.20 percent

Total to Air: 1.91 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.224 1.12 1000

Water 27.5 208 1000

Soil 72.1 416 1000

Sediment 0.216 1.87e+003 0

Persistence Time: 263 hr

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