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CAS Number: 5973-06-8

SMILES : O=C(OC2CCC1(C3C(CCC1C2(C)C)(C)C5(C(=CC3)C4CC(C)(C)CCC4(C)CC5)C)C)CCCC

CCCCCCCCCCC

CHEM :

MOL FOR: C46 H80 O2

MOL WT : 665.15

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 17.07

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

Boiling Pt (deg C): 626.58 (Adapted Stein & Brown method)

Melting Pt (deg C): 271.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.86E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 3.82E-012 (Modified Grain method)

Subcooled liquid VP: 1.48E-011 mm Hg (25 deg C, Mod-Grain method)

: 1.98E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.574e-013

log Kow used: 17.07 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.6515e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 5.93E-001 atm-m3/mole (6.01E+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: 1.590E-001 atm-m3/mole (1.611E+004 Pa-m3/mole)

VP: 2.86E-014 mm Hg (source: MPBPVP)

WS: 1.57E-013 mg/L (source: WSKOWWIN)

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

Log Kow used: 17.07 (KowWin est)

Log Kaw used: 1.385 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.685

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.3901

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 0.8951 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.4655 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4315

Biowin6 (MITI Non-Linear Model): 0.0225

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.7833

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): 1.97E-009 Pa (1.48E-011 mm Hg)

Log Koa (Koawin est ): 15.685

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

Mackay model : 1.52E+003

Octanol/air (Koa) model: 1.19E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 135.5845 E-12 cm3/molecule-sec

Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.947 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):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1E+010 L/kg (MCI method)

Log Koc: 11.100 (MCI method)

Koc : 2.002E+010 L/kg (Kow method)

Log Koc: 10.301 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.104E-003 L/mol-sec

Kb Half-Life at pH 8: 3.092 years

Kb Half-Life at pH 7: 30.917 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 4.6541 days (HL = 4.509e+004 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.893)

Log BAF Arnot-Gobas method (upper trophic) = -0.032 (BAF = 0.9292)

log Kow used: 17.07 (estimated)

Volatilization from Water:

Henry LC: 0.593 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.634 hours

Half-Life from Model Lake : 245 hours (10.21 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0122 1.25 1000

Water 6.24 4.32e+003 1000

Soil 93.7 8.64e+003 1000

Sediment 0.00138 3.89e+004 0

Persistence Time: 4.63e+003 hr

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