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CAS Num: 006415-59-4


CHEM : Seselidiol

MOL FOR: C17 H24 O2

MOL WT : 260.38

------------------------------ 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) = 4.77

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

Boiling Pt (deg C): 384.54 (Adapted Stein & Brown method)

Melting Pt (deg C): 149.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.24E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.65E-006 (Modified Grain method)

Subcooled liquid VP: 2.3E-007 mm Hg (25 deg C, Mod-Grain method)

: 3.07E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.745

log Kow used: 4.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 26.353 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

Propargyl Alcohol-hindered

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

Bond Method : 2.05E-007 atm-m3/mole (2.08E-002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.435E-009 atm-m3/mole (2.467E-004 Pa-m3/mole)

VP: 1.24E-008 mm Hg (source: MPBPVP)

WS: 1.75 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.77 (KowWin est)

Log Kaw used: -5.077 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.847

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0495

Biowin2 (Non-Linear Model) : 0.9674

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2420 (weeks )

Biowin4 (Primary Survey Model) : 4.0000 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4863

Biowin6 (MITI Non-Linear Model): 0.3909

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1609

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.07E-005 Pa (2.3E-007 mm Hg)

Log Koa (Koawin est ): 9.847

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

Mackay model : 0.0978

Octanol/air (Koa) model: 0.00173

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.779

Mackay model : 0.887

Octanol/air (Koa) model: 0.121

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 188.3580 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 198.2380 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.681 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.647 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.774750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.343500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 15.497 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 11.736 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.833 (Junge-Pankow, Mackay avg)

0.121 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 576.7 L/kg (MCI method)

Log Koc: 2.761 (MCI method)

Koc : 550.4 L/kg (Kow method)

Log Koc: 2.741 (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 = 2.815 (BCF = 652.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3255 days (HL = 0.4727 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.286 (BCF = 193)

Log BAF Arnot-Gobas method (upper trophic) = 2.286 (BAF = 193.1)

log Kow used: 4.77 (estimated)

Volatilization from Water:

Henry LC: 2.05E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4610 hours (192.1 days)

Half-Life from Model Lake : 5.043E+004 hours (2101 days)

Removal In Wastewater Treatment:

Total removal: 69.10 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 68.48 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.12 1.25 1000

Water 24.6 360 1000

Soil 74.7 720 1000

Sediment 0.543 3.24e+003 0

Persistence Time: 472 hr

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