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CAS Number:



MOL FOR: C15 H24 O2

MOL WT : 236.36

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

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) = 5.17

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

Boiling Pt (deg C): 278.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 64.78 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00258 (Modified Grain method)

VP (Pa, 25 deg C) : 0.343 (Modified Grain method)

Subcooled liquid VP: 0.00607 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.078

log Kow used: 5.17 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.5575 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 5.65E-004 atm-m3/mole (5.73E+001 Pa-m3/mole)

Group Method: 2.34E-004 atm-m3/mole (2.37E+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: 7.443E-004 atm-m3/mole (7.542E+001 Pa-m3/mole)

VP: 0.00258 mm Hg (source: MPBPVP)

WS: 1.08 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.17 (KowWin est)

Log Kaw used: -1.636 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.806

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4413

Biowin2 (Non-Linear Model) : 0.5709

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3928 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4288 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5803

Biowin6 (MITI Non-Linear Model): 0.3829

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4130

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): 0.809 Pa (0.00607 mm Hg)

Log Koa (Koawin est ): 6.806

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

Mackay model : 3.71E-006

Octanol/air (Koa) model: 1.57E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000134

Mackay model : 0.000296

Octanol/air (Koa) model: 0.000126

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 38.3861 E-12 cm3/molecule-sec

Half-Life = 0.279 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.344 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

Fraction sorbed to airborne particulates (phi):

0.000215 (Junge-Pankow, Mackay avg)

0.000126 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2412 L/kg (MCI method)

Log Koc: 3.382 (MCI method)

Koc : 5238 L/kg (Kow method)

Log Koc: 3.719 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.544E-003 L/mol-sec

Kb Half-Life at pH 8: 14.223 years

Kb Half-Life at pH 7: 142.230 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.079 (BCF = 1200 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3748 days (HL = 2.37 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.953 (BCF = 898.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.971 (BAF = 936.1)

log Kow used: 5.17 (estimated)

Volatilization from Water:

Henry LC: 0.000234 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.415 hours

Half-Life from Model Lake : 188 hours (7.833 days)

Removal In Wastewater Treatment:

Total removal: 82.88 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 80.84 percent

Total to Air: 1.34 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.17 2.39 1000

Water 11.9 900 1000

Soil 86.3 1.8e+003 1000

Sediment 1.62 8.1e+003 0

Persistence Time: 949 hr

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