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CAS Num: 004128-17-0



MOL FOR: C17 H28 O2

MOL WT : 264.41

------------------------------ 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) = 6.77

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

Boiling Pt (deg C): 325.86 (Adapted Stein & Brown method)

Melting Pt (deg C): 7.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000489 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0652 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.03236

log Kow used: 6.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.58639 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 : 1.04E-002 atm-m3/mole (1.05E+003 Pa-m3/mole)

Group Method: 5.60E-004 atm-m3/mole (5.68E+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: 5.257E-003 atm-m3/mole (5.327E+002 Pa-m3/mole)

VP: 0.000489 mm Hg (source: MPBPVP)

WS: 0.0324 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.77 (KowWin est)

Log Kaw used: -0.371 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.141

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7958

Biowin2 (Non-Linear Model) : 0.9656

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7551 (weeks )

Biowin4 (Primary Survey Model) : 3.6952 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5370

Biowin6 (MITI Non-Linear Model): 0.4179

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5195

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): 0.0652 Pa (0.000489 mm Hg)

Log Koa (Koawin est ): 7.141

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

Mackay model : 4.6E-005

Octanol/air (Koa) model: 3.4E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00166

Mackay model : 0.00367

Octanol/air (Koa) model: 0.000272

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 267.3759 E-12 cm3/molecule-sec

Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.803 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 129.000000 E-17 cm3/molecule-sec

Half-Life = 0.009 Days (at 7E11 mol/cm3)

Half-Life = 12.793 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00266 (Junge-Pankow, Mackay avg)

0.000272 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8902 L/kg (MCI method)

Log Koc: 3.949 (MCI method)

Koc : 4.02E+004 L/kg (Kow method)

Log Koc: 4.604 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec

Kb Half-Life at pH 8: 23.141 days

Kb Half-Life at pH 7: 231.410 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 4.135 (BCF = 1.365e+004 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7487 days (HL = 5.607 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.995 (BCF = 988.1)

Log BAF Arnot-Gobas method (upper trophic) = 3.911 (BAF = 8144)

log Kow used: 6.77 (estimated)

Volatilization from Water:

Henry LC: 0.00056 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.359 hours

Half-Life from Model Lake : 173 hours (7.208 days)

Removal In Wastewater Treatment:

Total removal: 93.72 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.87 percent

Total to Air: 0.08 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0254 0.174 1000

Water 17.8 360 1000

Soil 78.5 720 1000

Sediment 3.68 3.24e+003 0

Persistence Time: 436 hr

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