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CAS Number: 1227-93-6




MOL FOR: C20 H34 O1

MOL WT : 290.49

------------------------------ EPI SUMMARY (v4.11) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 6.47

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

Boiling Pt (deg C): 323.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 102.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000187 (Modified Grain method)

VP (Pa, 25 deg C) : 0.025 (Modified Grain method)

Subcooled liquid VP: 0.00108 mm Hg (25 deg C, Mod-Grain method)

: 0.144 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.04131

log Kow used: 6.47 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.071584 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 1.14E-003 atm-m3/mole (1.15E+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: 1.730E-003 atm-m3/mole (1.753E+002 Pa-m3/mole)

VP: 0.000187 mm Hg (source: MPBPVP)

WS: 0.0413 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.47 (KowWin est)

Log Kaw used: -1.332 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.802

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.4738

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.7001 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.8051 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3035

Biowin6 (MITI Non-Linear Model): 0.0577

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.1377

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): 0.144 Pa (0.00108 mm Hg)

Log Koa (Koawin est ): 7.802

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

Mackay model : 2.08E-005

Octanol/air (Koa) model: 1.56E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000752

Mackay model : 0.00166

Octanol/air (Koa) model: 0.00124

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 56.7435 E-12 cm3/molecule-sec

Half-Life = 0.188 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.262 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.00121 (Junge-Pankow, Mackay avg)

0.00124 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.76E+004 L/kg (MCI method)

Log Koc: 4.760 (MCI method)

Koc : 2.59E+004 L/kg (Kow method)

Log Koc: 4.413 (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 v3.01):

Log BCF from regression-based method = 3.938 (BCF = 8673 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3593 days (HL = 22.87 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.657 (BCF = 4541)

Log BAF Arnot-Gobas method (upper trophic) = 5.236 (BAF = 1.724e+005)

log Kow used: 6.47 (estimated)

Volatilization from Water:

Henry LC: 0.00114 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.615 hours

Half-Life from Model Lake : 171.4 hours (7.143 days)

Removal In Wastewater Treatment:

Total removal: 93.44 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.36 percent

Total to Air: 0.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0666 4.4 1000

Water 2.31 4.32e+003 1000

Soil 83.9 8.64e+003 1000

Sediment 13.7 3.89e+004 0

Persistence Time: 4.74e+003 hr

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