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CAS Number: 73209-42-4

SMILES : CC1CCC(c2c1ccc(c2)C)C(C)C

CHEM : (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene

MOL FOR: C15 H22

MOL WT : 202.34

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

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 v1.67 estimate) = 6.25

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

Boiling Pt (deg C): 270.93 (Adapted Stein & Brown method)

Melting Pt (deg C): 38.41 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00682 (Modified Grain method)

VP (Pa, 25 deg C) : 0.909 (Modified Grain method)

Subcooled liquid VP: 0.00901 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1962

log Kow used: 6.25 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.24862 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.75E-002 atm-m3/mole (1.77E+003 Pa-m3/mole)

Group Method: 8.29E-003 atm-m3/mole (8.40E+002 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 9.255E-003 atm-m3/mole (9.377E+002 Pa-m3/mole)

VP: 0.00682 mm Hg (source: MPBPVP)

WS: 0.196 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.25 (KowWin est)

Log Kaw used: -0.145 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.395

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8152

Biowin2 (Non-Linear Model) : 0.8661

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5275 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3502 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1468

Biowin6 (MITI Non-Linear Model): 0.1556

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6293

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.0162

BioHC Half-Life (days) : 10.3799

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

Vapor pressure (liquid/subcooled): 1.2 Pa (0.00901 mm Hg)

Log Koa (Koawin est ): 6.395

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

Mackay model : 2.5E-006

Octanol/air (Koa) model: 6.1E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.02E-005

Mackay model : 0.0002

Octanol/air (Koa) model: 4.88E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.7039 E-12 cm3/molecule-sec

Half-Life = 0.416 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.993 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000145 (Junge-Pankow, Mackay avg)

4.88E-005 (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 : 2.654E+005 L/kg (Kow method)

Log Koc: 5.424 (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 v3.00):

Log BCF from regression-based method = 3.790 (BCF = 6163 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.9912 days (HL = 9.799 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.423 (BCF = 2649)

Log BAF Arnot-Gobas method (upper trophic) = 4.284 (BAF = 1.924e+004)

log Kow used: 6.25 (estimated)

Volatilization from Water:

Henry LC: 0.00829 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.552 hours

Half-Life from Model Lake : 136.2 hours (5.675 days)

Removal In Wastewater Treatment:

Total removal: 93.52 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 89.58 percent

Total to Air: 3.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.784 9.99 1000

Water 9.09 900 1000

Soil 80.6 1.8e+003 1000

Sediment 9.55 8.1e+003 0

Persistence Time: 906 hr

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