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CAS Number: 54393-36-1

SMILES : CCCC=CCCCO

CHEM : (Z)-oct-4-en-1-ol

MOL FOR: C8 H16 O1

MOL WT : 128.22

------------------------------ 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) = 2.59

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

Boiling Pt (deg C): 206.75 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.049 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 6.53 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1855

log Kow used: 2.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1670.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.73E-005 atm-m3/mole (2.76E+000 Pa-m3/mole)

Group Method: 1.02E-005 atm-m3/mole (1.03E+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: 4.457E-006 atm-m3/mole (4.516E-001 Pa-m3/mole)

VP: 0.049 mm Hg (source: MPBPVP)

WS: 1.86E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.59 (KowWin est)

Log Kaw used: -2.952 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.542

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9537

Biowin2 (Non-Linear Model) : 0.9845

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3741 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0613 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7517

Biowin6 (MITI Non-Linear Model): 0.8862

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5545

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): 5.89 Pa (0.0442 mm Hg)

Log Koa (Koawin est ): 5.542

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

Mackay model : 5.09E-007

Octanol/air (Koa) model: 8.55E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.84E-005

Mackay model : 4.07E-005

Octanol/air (Koa) model: 6.84E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 65.5877 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 73.1877 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.957 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.754 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):

2.96E-005 (Junge-Pankow, Mackay avg)

6.84E-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 : 88.36 L/kg (Kow method)

Log Koc: 1.946 (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 = 1.376 (BCF = 23.78 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5334 days (HL = 0.2928 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.481 (BCF = 30.24)

Log BAF Arnot-Gobas method (upper trophic) = 1.481 (BAF = 30.24)

log Kow used: 2.59 (estimated)

Volatilization from Water:

Henry LC: 2.73E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 25.44 hours (1.06 days)

Half-Life from Model Lake : 372.5 hours (15.52 days)

Removal In Wastewater Treatment:

Total removal: 4.80 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.24 percent

Total to Air: 1.45 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.294 1.37 1000

Water 32.4 208 1000

Soil 67.2 416 1000

Sediment 0.101 1.87e+003 0

Persistence Time: 248 hr

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