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CAS Number: 220766-75-6



MOL FOR: C15 H22 O2

MOL WT : 234.34

------------------------------ 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) = 5.03

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

Boiling Pt (deg C): 314.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 62.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000406 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0542 (Modified Grain method)

Subcooled liquid VP: 0.000903 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.467

log Kow used: 5.03 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.78548 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 7.75E-005 atm-m3/mole (7.85E+000 Pa-m3/mole)

Group Method: 1.86E-005 atm-m3/mole (1.88E+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: 8.534E-005 atm-m3/mole (8.647E+000 Pa-m3/mole)

VP: 0.000406 mm Hg (source: MPBPVP)

WS: 1.47 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.03 (KowWin est)

Log Kaw used: -2.499 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.529

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1014

Biowin2 (Non-Linear Model) : 0.9997

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0670 (weeks )

Biowin4 (Primary Survey Model) : 3.9440 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6410

Biowin6 (MITI Non-Linear Model): 0.7823

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3858

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): 0.12 Pa (0.000903 mm Hg)

Log Koa (Koawin est ): 7.529

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

Mackay model : 2.49E-005

Octanol/air (Koa) model: 8.3E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000899

Mackay model : 0.00199

Octanol/air (Koa) model: 0.000663

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 13.7434 E-12 cm3/molecule-sec

Half-Life = 0.778 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.339 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00144 (Junge-Pankow, Mackay avg)

0.000663 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4396 L/kg (MCI method)

Log Koc: 3.643 (MCI method)

Koc : 4383 L/kg (Kow method)

Log Koc: 3.642 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.825E-002 L/mol-sec

Kb Half-Life at pH 8: 117.539 days

Kb Half-Life at pH 7: 3.218 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.610 (BCF = 40.72 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7865 days (HL = 0.1635 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.837 (BCF = 68.68)

Log BAF Arnot-Gobas method (upper trophic) = 1.837 (BAF = 68.69)

log Kow used: 5.03 (estimated)

Volatilization from Water:

Henry LC: 1.86E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 49.75 hours (2.073 days)

Half-Life from Model Lake : 671.1 hours (27.96 days)

Removal In Wastewater Treatment:

Total removal: 78.70 percent

Total biodegradation: 0.68 percent

Total sludge adsorption: 77.85 percent

Total to Air: 0.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.55 18.7 1000

Water 22.6 360 1000

Soil 72.7 720 1000

Sediment 3.07 3.24e+003 0

Persistence Time: 476 hr

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