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CAS Number: 91050-14-5



MOL FOR: C17 H28 O2

MOL WT : 264.41

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 6.68

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

Boiling Pt (deg C): 310.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00109 (Modified Grain method)

VP (Pa, 25 deg C) : 0.146 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.03852

log Kow used: 6.68 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.41075 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Vinyl/Allyl Esters

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

Bond Method : 7.44E-003 atm-m3/mole (7.54E+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: 9.845E-003 atm-m3/mole (9.975E+002 Pa-m3/mole)

VP: 0.00109 mm Hg (source: MPBPVP)

WS: 0.0385 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.68 (KowWin est)

Log Kaw used: -0.517 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.197

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6119

Biowin2 (Non-Linear Model) : 0.8335

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5429 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5418 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5675

Biowin6 (MITI Non-Linear Model): 0.4244

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0122

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): 0.145 Pa (0.00109 mm Hg)

Log Koa (Koawin est ): 7.197

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

Mackay model : 2.06E-005

Octanol/air (Koa) model: 3.86E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000745

Mackay model : 0.00165

Octanol/air (Koa) model: 0.000309

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 205.5770 E-12 cm3/molecule-sec

Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.624 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.175003 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 19.150 Min

Fraction sorbed to airborne particulates (phi):

0.0012 (Junge-Pankow, Mackay avg)

0.000309 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7652 L/kg (MCI method)

Log Koc: 3.884 (MCI method)

Koc : 3.584E+004 L/kg (Kow method)

Log Koc: 4.554 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 4.610E-002 L/mol-sec

Kb Half-Life at pH 8: 174.013 days

Kb Half-Life at pH 7: 4.764 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 4.077 (BCF = 1.193e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5965 days (HL = 3.949 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.898 (BCF = 790.6)

Log BAF Arnot-Gobas method (upper trophic) = 3.521 (BAF = 3317)

log Kow used: 6.68 (estimated)

Volatilization from Water:

Henry LC: 0.00744 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.787 hours

Half-Life from Model Lake : 155.8 hours (6.493 days)

Removal In Wastewater Treatment:

Total removal: 93.82 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 91.92 percent

Total to Air: 1.14 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0305 0.254 1000

Water 12.3 900 1000

Soil 83.3 1.8e+003 1000

Sediment 4.41 8.1e+003 0

Persistence Time: 726 hr

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