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CAS Number: 50277-34-4

SMILES : Cc1cc2c(cc1)C(=C)CCC2C(C)C

CHEM : 7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene

MOL FOR: C15 H20

MOL WT : 200.33

------------------------------ 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) = 6.24

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

Boiling Pt (deg C): 271.60 (Adapted Stein & Brown method)

Melting Pt (deg C): 47.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00541 (Modified Grain method)

VP (Pa, 25 deg C) : 0.721 (Modified Grain method)

Subcooled liquid VP: 0.0087 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.2036

log Kow used: 6.24 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.24974 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.22E-003 atm-m3/mole (7.32E+002 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: 7.004E-003 atm-m3/mole (7.097E+002 Pa-m3/mole)

VP: 0.00541 mm Hg (source: MPBPVP)

WS: 0.204 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.24 (KowWin est)

Log Kaw used: -0.530 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.770

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7615

Biowin2 (Non-Linear Model) : 0.7889

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6068 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4217 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1745

Biowin6 (MITI Non-Linear Model): 0.1349

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6154

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.1894

BioHC Half-Life (days) : 154.6579

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

Vapor pressure (liquid/subcooled): 1.16 Pa (0.0087 mm Hg)

Log Koa (Koawin est ): 6.770

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

Mackay model : 2.59E-006

Octanol/air (Koa) model: 1.45E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.34E-005

Mackay model : 0.000207

Octanol/air (Koa) model: 0.000116

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 71.1074 E-12 cm3/molecule-sec

Half-Life = 0.150 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.805 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec

Half-Life = 0.084 Days (at 7E11 mol/cm3)

Half-Life = 2.015 Hrs

Fraction sorbed to airborne particulates (phi):

0.00015 (Junge-Pankow, Mackay avg)

0.000116 (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 : 2.602E+005 L/kg (Kow method)

Log Koc: 5.415 (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 = 3.785 (BCF = 6101 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.2318 days (HL = 17.05 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.626 (BCF = 4226)

Log BAF Arnot-Gobas method (upper trophic) = 4.823 (BAF = 6.651e+004)

log Kow used: 6.24 (estimated)

Volatilization from Water:

Henry LC: 0.00722 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.559 hours

Half-Life from Model Lake : 135.7 hours (5.654 days)

Removal In Wastewater Treatment:

Total removal: 93.45 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 89.82 percent

Total to Air: 2.90 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.112 1.29 1000

Water 9.01 900 1000

Soil 81.4 1.8e+003 1000

Sediment 9.48 8.1e+003 0

Persistence Time: 915 hr

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