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CAS Num: 026330-65-4

SMILES : OCCC(CCC(=CC)CC)C

CHEM : 6-Octen-1-ol, 6-ethyl-3-methyl-

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) = 4.05

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

Boiling Pt (deg C): 246.35 (Adapted Stein & Brown method)

Melting Pt (deg C): -1.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00412 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.549 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 69.47

log Kow used: 4.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 149.63 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.53E-005 atm-m3/mole (7.63E+000 Pa-m3/mole)

Group Method: 3.62E-005 atm-m3/mole (3.67E+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: 1.329E-005 atm-m3/mole (1.347E+000 Pa-m3/mole)

VP: 0.00412 mm Hg (source: MPBPVP)

WS: 69.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.05 (KowWin est)

Log Kaw used: -2.512 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.562

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) : 0.5705

Biowin6 (MITI Non-Linear Model): 0.6787

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6207

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): 0.529 Pa (0.00397 mm Hg)

Log Koa (Koawin est ): 6.562

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

Mackay model : 5.67E-006

Octanol/air (Koa) model: 8.95E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000205

Mackay model : 0.000453

Octanol/air (Koa) model: 7.16E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 99.3754 E-12 cm3/molecule-sec

Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.292 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000329 (Junge-Pankow, Mackay avg)

7.16E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 188 L/kg (MCI method)

Log Koc: 2.274 (MCI method)

Koc : 567.3 L/kg (Kow method)

Log Koc: 2.754 (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 = 2.337 (BCF = 217.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0278 days (HL = 0.9379 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.471 (BCF = 295.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.471 (BAF = 295.8)

log Kow used: 4.05 (estimated)

Volatilization from Water:

Henry LC: 7.53E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 11.48 hours

Half-Life from Model Lake : 234.6 hours (9.777 days)

Removal In Wastewater Treatment:

Total removal: 34.49 percent

Total biodegradation: 0.33 percent

Total sludge adsorption: 31.61 percent

Total to Air: 2.55 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0748 0.513 1000

Water 24.4 360 1000

Soil 75.3 720 1000

Sediment 0.222 3.24e+003 0

Persistence Time: 407 hr

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