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CAS Number: 144610-93-5



MOL FOR: C19 H38 O2

MOL WT : 298.51

------------------------------ 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) = 8.12

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

Boiling Pt (deg C): 337.14 (Adapted Stein & Brown method)

Melting Pt (deg C): 79.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.08E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0108 (Modified Grain method)

Subcooled liquid VP: 0.000266 mm Hg (25 deg C, Mod-Grain method)

: 0.0354 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.001458

log Kow used: 8.12 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0028592 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.63E-002 atm-m3/mole (1.65E+003 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: 2.177E-002 atm-m3/mole (2.206E+003 Pa-m3/mole)

VP: 8.08E-005 mm Hg (source: MPBPVP)

WS: 0.00146 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.12 (KowWin est)

Log Kaw used: -0.176 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.296

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7041

Biowin2 (Non-Linear Model) : 0.9512

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7659 (weeks )

Biowin4 (Primary Survey Model) : 3.7616 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8795

Biowin6 (MITI Non-Linear Model): 0.9179

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3756

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): 0.0355 Pa (0.000266 mm Hg)

Log Koa (Koawin est ): 8.296

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

Mackay model : 8.46E-005

Octanol/air (Koa) model: 4.85E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00305

Mackay model : 0.00672

Octanol/air (Koa) model: 0.00387

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.1996 E-12 cm3/molecule-sec

Half-Life = 0.557 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.685 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00488 (Junge-Pankow, Mackay avg)

0.00387 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.207E+004 L/kg (MCI method)

Log Koc: 4.506 (MCI method)

Koc : 2.243E+005 L/kg (Kow method)

Log Koc: 5.351 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.209E-003 L/mol-sec

Kb Half-Life at pH 8: 9.945 years

Kb Half-Life at pH 7: 99.447 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.979 (BCF = 952.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4630 days (HL = 2.904 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.630 (BCF = 42.69)

Log BAF Arnot-Gobas method (upper trophic) = 2.763 (BAF = 579.5)

log Kow used: 8.12 (estimated)

Volatilization from Water:

Henry LC: 0.0163 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.825 hours

Half-Life from Model Lake : 164.8 hours (6.866 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.17 percent

Total to Air: 0.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.45 13.4 1000

Water 23.2 360 1000

Soil 72.5 720 1000

Sediment 2.9 3.24e+003 0

Persistence Time: 439 hr

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