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CAS Number:

SMILES : CC(C)C=1C=CC2(C)CC=CC(C)C2C=1

CHEM :

MOL FOR: C15 H22

MOL WT : 202.34

------------------------------ 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) = 6.45

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

Boiling Pt (deg C): 252.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.63 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0395 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.26 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 0.03873

log Kow used: 6.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.054689 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : Incomplete

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: 2.715E-001 atm-m3/mole (2.751E+004 Pa-m3/mole)

VP: 0.0395 mm Hg (source: MPBPVP)

WS: 0.0387 mg/L (source: WSKOWWIN)

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

Can Not Estimate (can not calculate HenryLC)

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4673

Biowin2 (Non-Linear Model) : 0.1697

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5399 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4024 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2106

Biowin6 (MITI Non-Linear Model): 0.0485

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2780

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.7933

BioHC Half-Life (days) : 62.1279

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

Vapor pressure (liquid/subcooled): 5.17 Pa (0.0388 mm Hg)

Log Koa (): not available

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

Mackay model : 5.8E-007

Octanol/air (Koa) model: not available

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.09E-005

Mackay model : 4.64E-005

Octanol/air (Koa) model: not available

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 123.2280 E-12 cm3/molecule-sec

Ozone Reaction:

OVERALL Ozone Rate Constant = 20.174999 E-17 cm3/molecule-sec

Half-Life = 0.057 Days (at 7E11 mol/cm3)

Half-Life = 1.363 Hrs

Fraction sorbed to airborne particulates (phi):

3.37E-005 (Junge-Pankow, Mackay avg)

not available (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9221 L/kg (MCI method)

Log Koc: 3.965 (MCI method)

Koc : 3.959E+005 L/kg (Kow method)

Log Koc: 5.598 (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 = 3.919 (BCF = 8306 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5928 days (HL = 39.15 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.832 (BCF = 6785)

Log BAF Arnot-Gobas method (upper trophic) = 5.666 (BAF = 4.632e+005)

log Kow used: 6.45 (estimated)

Volatilization from Water:

Henry LC: 0.272 atm-m3/mole (calculated from VP/WS)

Half-Life from Model River: 1.455 hours

Half-Life from Model Lake : 135.1 hours (5.631 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 97.59 percent

Total biodegradation: 0.39 percent

Total sludge adsorption: 71.41 percent

Total to Air: 25.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.519 0.824 1000

Water 44.9 900 1000

Soil 33.5 1.8e+003 1000

Sediment 21.1 8.1e+003 0

Persistence Time: 187 hr

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