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CAS Num: 037617-03-1

SMILES : OCC=CCCCCCCCC

CHEM : 2-Undecen-1-ol

MOL FOR: C11 H22 O1

MOL WT : 170.30

------------------------------ 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) = 4.06

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

Boiling Pt (deg C): 261.49 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00154 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.206 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 67.15

log Kow used: 4.06 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 54.33 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 : 6.38E-005 atm-m3/mole (6.47E+000 Pa-m3/mole)

Group Method: 6.58E-005 atm-m3/mole (6.67E+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: 5.139E-006 atm-m3/mole (5.207E-001 Pa-m3/mole)

VP: 0.00154 mm Hg (source: MPBPVP)

WS: 67.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.06 (KowWin est)

Log Kaw used: -2.584 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.644

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9336

Biowin2 (Non-Linear Model) : 0.9721

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2811 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0006 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7748

Biowin6 (MITI Non-Linear Model): 0.8934

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6324

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): 0.207 Pa (0.00155 mm Hg)

Log Koa (Koawin est ): 6.644

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

Mackay model : 1.45E-005

Octanol/air (Koa) model: 1.08E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000524

Mackay model : 0.00116

Octanol/air (Koa) model: 8.65E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 69.3392 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 76.9392 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.851 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.668 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000842 (Junge-Pankow, Mackay avg)

8.65E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 231.7 L/kg (MCI method)

Log Koc: 2.365 (MCI method)

Koc : 574.6 L/kg (Kow method)

Log Koc: 2.759 (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 = 0.974 (BCF = 9.417 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1160 days (HL = 0.7657 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.408 (BCF = 255.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.408 (BAF = 255.7)

log Kow used: 4.06 (estimated)

Volatilization from Water:

Henry LC: 6.38E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 13.31 hours

Half-Life from Model Lake : 254.6 hours (10.61 days)

Removal In Wastewater Treatment:

Total removal: 34.65 percent

Total biodegradation: 0.34 percent

Total sludge adsorption: 32.14 percent

Total to Air: 2.18 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.277 1.35 1000

Water 27 208 1000

Soil 72.5 416 1000

Sediment 0.23 1.87e+003 0

Persistence Time: 261 hr

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