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CAS Num: 001154-92-3

SMILES : C1(C(C)C)C(OC(=O)Cc2ccccc2)CC(C)CC1


MOL FOR: C18 H26 O2

MOL WT : 274.41

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 6.09

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

Boiling Pt (deg C): 343.28 (Adapted Stein & Brown method)

Melting Pt (deg C): 79.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.77E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00769 (Modified Grain method)

Subcooled liquid VP: 0.00019 mm Hg (25 deg C, Mod-Grain method)

: 0.0254 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.1077

log Kow used: 6.09 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.27332 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.99E-005 atm-m3/mole (8.10E+000 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: 1.934E-004 atm-m3/mole (1.960E+001 Pa-m3/mole)

VP: 5.77E-005 mm Hg (source: MPBPVP)

WS: 0.108 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.09 (KowWin est)

Log Kaw used: -2.486 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.576

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9738

Biowin2 (Non-Linear Model) : 0.9962

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6801 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6172 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2720

Biowin6 (MITI Non-Linear Model): 0.1003

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0191

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): 0.0253 Pa (0.00019 mm Hg)

Log Koa (Koawin est ): 8.576

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

Mackay model : 0.000118

Octanol/air (Koa) model: 9.25E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00426

Mackay model : 0.00938

Octanol/air (Koa) model: 0.00734

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.8920 E-12 cm3/molecule-sec

Half-Life = 0.489 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.863 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00682 (Junge-Pankow, Mackay avg)

0.00734 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.931E+004 L/kg (MCI method)

Log Koc: 4.286 (MCI method)

Koc : 1.691E+004 L/kg (Kow method)

Log Koc: 4.228 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.052E-002 L/mol-sec

Kb Half-Life at pH 8: 158.775 days

Kb Half-Life at pH 7: 4.347 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.688 (BCF = 4876 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1150 days (HL = 0.7673 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.410 (BCF = 256.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.426 (BAF = 266.7)

log Kow used: 6.09 (estimated)

Volatilization from Water:

Henry LC: 7.99E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 13.83 hours

Half-Life from Model Lake : 289.8 hours (12.07 days)

Removal In Wastewater Treatment:

Total removal: 92.51 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.68 percent

Total to Air: 0.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.513 11.7 1000

Water 11.9 900 1000

Soil 75 1.8e+003 1000

Sediment 12.5 8.1e+003 0

Persistence Time: 1.15e+003 hr

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