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CAS Number: 767-99-7

SMILES : c(ccc1C(=CC)C)cc1

CHEM : BENZENE, (1-METHYL-1-PROPENYL)-, (Z)-

MOL FOR: C10 H12

MOL WT : 132.21

------------------------------ 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) = 3.85

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

Boiling Pt (deg C): 191.48 (Adapted Stein & Brown method)

Melting Pt (deg C): -32.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.47 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 62.6 (Mean VP of Antoine & Grain methods)

MP (exp database): -23.5 deg C

BP (exp database): 194.7 deg C

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

Water Solubility at 25 deg C (mg/L): 46

log Kow used: 3.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 60.18 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 6.79E-003 atm-m3/mole (6.88E+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: 1.777E-003 atm-m3/mole (1.801E+002 Pa-m3/mole)

VP: 0.47 mm Hg (source: MPBPVP)

WS: 46 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.85 (KowWin est)

Log Kaw used: -0.557 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.407

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8127

Biowin2 (Non-Linear Model) : 0.9493

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9290 (weeks )

Biowin4 (Primary Survey Model) : 3.6619 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3669

Biowin6 (MITI Non-Linear Model): 0.3491

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3444

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4153

BioHC Half-Life (days) : 2.6021

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

Vapor pressure (liquid/subcooled): 57.1 Pa (0.428 mm Hg)

Log Koa (Koawin est ): 4.407

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

Mackay model : 5.26E-008

Octanol/air (Koa) model: 6.27E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.9E-006

Mackay model : 4.21E-006

Octanol/air (Koa) model: 5.01E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 89.0052 E-12 cm3/molecule-sec

Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.442 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec

Half-Life = 0.013 Days (at 7E11 mol/cm3)

Half-Life = 18.599 Min

Fraction sorbed to airborne particulates (phi):

3.05E-006 (Junge-Pankow, Mackay avg)

5.01E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1331 L/kg (MCI method)

Log Koc: 3.124 (MCI method)

Koc : 2193 L/kg (Kow method)

Log Koc: 3.341 (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 = 2.210 (BCF = 162.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1987 days (HL = 1.58 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.548 (BCF = 352.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.548 (BAF = 353.3)

log Kow used: 3.85 (estimated)

Volatilization from Water:

Henry LC: 0.00679 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.272 hours

Half-Life from Model Lake : 110.3 hours (4.596 days)

Removal In Wastewater Treatment:

Total removal: 76.59 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 16.37 percent

Total to Air: 60.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.104 0.28 1000

Water 25.3 360 1000

Soil 73.5 720 1000

Sediment 1.15 3.24e+003 0

Persistence Time: 248 hr

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