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CAS Num: 000112-43-6

SMILES : OCCCCCCCCCC=C

CHEM : 10-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) = 4.14

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

Boiling Pt (deg C): 254.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00325 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.434 (Mean VP of Antoine & Grain methods)

MP (exp database): -2 deg C

BP (exp database): 250 deg C

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

Water Solubility at 25 deg C (mg/L): 57.53

log Kow used: 4.14 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 25.41 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.41E-005 atm-m3/mole (5.48E+000 Pa-m3/mole)

Group Method: 3.46E-005 atm-m3/mole (3.50E+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: 1.266E-005 atm-m3/mole (1.283E+000 Pa-m3/mole)

VP: 0.00325 mm Hg (source: MPBPVP)

WS: 57.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.14 (KowWin est)

Log Kaw used: -2.655 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.795

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8252

Biowin2 (Non-Linear Model) : 0.8466

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9828 (weeks )

Biowin4 (Primary Survey Model) : 3.7315 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8300

Biowin6 (MITI Non-Linear Model): 0.9285

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9822

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): 0.421 Pa (0.00316 mm Hg)

Log Koa (Koawin est ): 6.795

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

Mackay model : 7.12E-006

Octanol/air (Koa) model: 1.53E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000257

Mackay model : 0.000569

Octanol/air (Koa) model: 0.000122

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 41.5010 E-12 cm3/molecule-sec

Half-Life = 0.258 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.093 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.000413 (Junge-Pankow, Mackay avg)

0.000122 (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 : 636.2 L/kg (Kow method)

Log Koc: 2.804 (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 = 1.026 (BCF = 10.61 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2480 days (HL = 0.5649 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.313 (BCF = 205.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.313 (BAF = 205.7)

log Kow used: 4.14 (estimated)

Volatilization from Water:

Henry LC: 5.41E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 15.45 hours

Half-Life from Model Lake : 278 hours (11.58 days)

Removal In Wastewater Treatment:

Total removal: 38.22 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 36.10 percent

Total to Air: 1.75 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.609 4.87 1000

Water 24.3 360 1000

Soil 74.8 720 1000

Sediment 0.259 3.24e+003 0

Persistence Time: 424 hr

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