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CAS Number: 53046-97-2


CHEM : (3Z,6Z)-nona-3,6-dien-1-ol

MOL FOR: C9 H16 O1

MOL WT : 140.23

------------------------------ 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) = 2.87

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

Boiling Pt (deg C): 231.61 (Adapted Stein & Brown method)

Melting Pt (deg C): -4.87 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0105 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 963.8

log Kow used: 2.87 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1173.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.19E-005 atm-m3/mole (3.23E+000 Pa-m3/mole)

Group Method: 3.79E-006 atm-m3/mole (3.84E-001 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: 2.010E-006 atm-m3/mole (2.037E-001 Pa-m3/mole)

VP: 0.0105 mm Hg (source: MPBPVP)

WS: 964 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.87 (KowWin est)

Log Kaw used: -2.885 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.755

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9479

Biowin2 (Non-Linear Model) : 0.9816

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3476 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0439 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6789

Biowin6 (MITI Non-Linear Model): 0.7913

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3814

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): 1.31 Pa (0.00982 mm Hg)

Log Koa (Koawin est ): 5.755

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

Mackay model : 2.29E-006

Octanol/air (Koa) model: 1.4E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.28E-005

Mackay model : 0.000183

Octanol/air (Koa) model: 1.12E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 120.1450 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 135.3450 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.068 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.948 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 26.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 40.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000133 (Junge-Pankow, Mackay avg)

1.12E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 69.77 L/kg (MCI method)

Log Koc: 1.844 (MCI method)

Koc : 126.2 L/kg (Kow method)

Log Koc: 2.101 (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 = 1.558 (BCF = 36.17 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3059 days (HL = 0.4945 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.749 (BCF = 56.1)

Log BAF Arnot-Gobas method (upper trophic) = 1.749 (BAF = 56.1)

log Kow used: 2.87 (estimated)

Volatilization from Water:

Henry LC: 3.19E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 22.94 hours

Half-Life from Model Lake : 349.6 hours (14.57 days)

Removal In Wastewater Treatment:

Total removal: 6.34 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.56 percent

Total to Air: 1.66 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.147 0.708 1000

Water 30.2 208 1000

Soil 69.5 416 1000

Sediment 0.125 1.87e+003 0

Persistence Time: 255 hr

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