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CAS Number: 22478-62-2

SMILES : CC(C)c1cc2c(cc1)C3(CCCC(=C)C3CC2)C

CHEM :

MOL FOR: C19 H26

MOL WT : 254.42

------------------------------ 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) = 7.30

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

Boiling Pt (deg C): 326.31 (Adapted Stein & Brown method)

Melting Pt (deg C): 95.79 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.84E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0131 (Modified Grain method)

Subcooled liquid VP: 0.000477 mm Hg (25 deg C, Mod-Grain method)

: 0.0636 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01307

log Kow used: 7.30 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0085398 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 2.10E-002 atm-m3/mole (2.13E+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: 2.520E-003 atm-m3/mole (2.554E+002 Pa-m3/mole)

VP: 9.84E-005 mm Hg (source: MPBPVP)

WS: 0.0131 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.30 (KowWin est)

Log Kaw used: -0.066 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.366

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5518

Biowin2 (Non-Linear Model) : 0.2363

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2751 (weeks-months)

Biowin4 (Primary Survey Model) : 3.1902 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0870

Biowin6 (MITI Non-Linear Model): 0.0479

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8140

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 3.1639

BioHC Half-Life (days) : 1458.5792

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

Vapor pressure (liquid/subcooled): 0.0636 Pa (0.000477 mm Hg)

Log Koa (Koawin est ): 7.366

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

Mackay model : 4.72E-005

Octanol/air (Koa) model: 5.7E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0017

Mackay model : 0.00376

Octanol/air (Koa) model: 0.000456

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 77.1035 E-12 cm3/molecule-sec

Half-Life = 0.139 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.665 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00273 (Junge-Pankow, Mackay avg)

0.000456 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.006E+005 L/kg (MCI method)

Log Koc: 5.302 (MCI method)

Koc : 2.164E+006 L/kg (Kow method)

Log Koc: 6.335 (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 = 3.978 (BCF = 9499 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5115 days (HL = 32.47 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.301 (BCF = 2000)

Log BAF Arnot-Gobas method (upper trophic) = 5.745 (BAF = 5.557e+005)

log Kow used: 7.30 (estimated)

Volatilization from Water:

Henry LC: 0.021 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.672 hours

Half-Life from Model Lake : 152 hours (6.333 days)

Removal In Wastewater Treatment:

Total removal: 94.06 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.52 percent

Total to Air: 0.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.127 2.91 1000

Water 6.82 900 1000

Soil 57.5 1.8e+003 1000

Sediment 35.6 8.1e+003 0

Persistence Time: 1.44e+003 hr

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