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CAS Num: 001335-48-4



MOL FOR: C15 H28 O1

MOL WT : 224.39

------------------------------ 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) = 5.85

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

Boiling Pt (deg C): 310.34 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.94E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00925 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.061

log Kow used: 5.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.0972 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 2.43E-004 atm-m3/mole (2.46E+001 Pa-m3/mole)

Group Method: 7.56E-005 atm-m3/mole (7.66E+000 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: 1.931E-005 atm-m3/mole (1.957E+000 Pa-m3/mole)

VP: 6.94E-005 mm Hg (source: MPBPVP)

WS: 1.06 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.85 (KowWin est)

Log Kaw used: -2.003 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.853

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7994

Biowin2 (Non-Linear Model) : 0.7191

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8633 (weeks )

Biowin4 (Primary Survey Model) : 3.6534 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4656

Biowin6 (MITI Non-Linear Model): 0.4168

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4936

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): 0.00925 Pa (6.94E-005 mm Hg)

Log Koa (Koawin est ): 7.853

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

Mackay model : 0.000324

Octanol/air (Koa) model: 1.75E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0116

Mackay model : 0.0253

Octanol/air (Koa) model: 0.0014

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 187.2561 E-12 cm3/molecule-sec

Half-Life = 0.057 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.685 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 86.000000 E-17 cm3/molecule-sec

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

Half-Life = 19.189 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0184 (Junge-Pankow, Mackay avg)

0.0014 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1666 L/kg (MCI method)

Log Koc: 3.222 (MCI method)

Koc : 5617 L/kg (Kow method)

Log Koc: 3.749 (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 = 3.528 (BCF = 3374 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7565 days (HL = 5.709 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.282 (BCF = 1916)

Log BAF Arnot-Gobas method (upper trophic) = 3.587 (BAF = 3861)

log Kow used: 5.85 (estimated)

Volatilization from Water:

Henry LC: 0.000243 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.138 hours

Half-Life from Model Lake : 181.7 hours (7.569 days)

Removal In Wastewater Treatment:

Total removal: 91.46 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 90.38 percent

Total to Air: 0.32 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0389 0.259 1000

Water 19.3 360 1000

Soil 79.7 720 1000

Sediment 1.03 3.24e+003 0

Persistence Time: 421 hr

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