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CAS Number: 71609-04-6



MOL FOR: C15 H22

MOL WT : 202.34

------------------------------ 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) = 6.31

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

Boiling Pt (deg C): 266.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 36.44 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.015 (Modified Grain method)

VP (Pa, 25 deg C) : 2 (Modified Grain method)

Subcooled liquid VP: 0.019 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.05047

log Kow used: 6.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.81137 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.89E-001 atm-m3/mole (6.98E+004 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: 7.913E-002 atm-m3/mole (8.018E+003 Pa-m3/mole)

VP: 0.015 mm Hg (source: MPBPVP)

WS: 0.0505 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.31 (KowWin est)

Log Kaw used: 1.450 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.860

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6512

Biowin2 (Non-Linear Model) : 0.5338

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7520 (weeks )

Biowin4 (Primary Survey Model) : 3.5558 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2338

Biowin6 (MITI Non-Linear Model): 0.0769

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0244

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.1704

BioHC Half-Life (days) : 14.8048

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 2.53 Pa (0.019 mm Hg)

Log Koa (Koawin est ): 4.860

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

Mackay model : 1.18E-006

Octanol/air (Koa) model: 1.78E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.28E-005

Mackay model : 9.47E-005

Octanol/air (Koa) model: 1.42E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 357.5694 E-12 cm3/molecule-sec

Half-Life = 0.030 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 21.537 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1043.000000 E-17 cm3/molecule-sec

Half-Life = 0.001 Days (at 7E11 mol/cm3)

Half-Life = 1.582 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

6.87E-005 (Junge-Pankow, Mackay avg)

1.42E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.981E+004 L/kg (MCI method)

Log Koc: 4.297 (MCI method)

Koc : 2.993E+005 L/kg (Kow method)

Log Koc: 5.476 (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 v3.01):

Log BCF from regression-based method = 3.831 (BCF = 6769 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9732 days (HL = 94.02 days)

Log BCF Arnot-Gobas method (upper trophic) = 4.071 (BCF = 1.178e+004)

Log BAF Arnot-Gobas method (upper trophic) = 6.111 (BAF = 1.292e+006)

log Kow used: 6.31 (estimated)

Volatilization from Water:

Henry LC: 0.689 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.453 hours

Half-Life from Model Lake : 135.1 hours (5.63 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.03 percent

Total biodegradation: 0.26 percent

Total sludge adsorption: 63.82 percent

Total to Air: 34.95 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0191 0.0254 1000

Water 43.5 360 1000

Soil 33.7 720 1000

Sediment 22.8 3.24e+003 0

Persistence Time: 146 hr

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