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CAS Number: 116963-97-4



MOL FOR: C11 H16

MOL WT : 148.25

------------------------------ 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) = 4.96

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

Boiling Pt (deg C): 202.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -35.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.454 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 60.6 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.297

log Kow used: 4.96 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 9.8585 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.43E-001 atm-m3/mole (3.48E+004 Pa-m3/mole)

Group Method: 3.15E-002 atm-m3/mole (3.19E+003 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: 6.828E-002 atm-m3/mole (6.919E+003 Pa-m3/mole)

VP: 0.454 mm Hg (source: MPBPVP)

WS: 1.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.96 (KowWin est)

Log Kaw used: 1.147 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.813

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7854

Biowin2 (Non-Linear Model) : 0.9398

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1699 (weeks )

Biowin4 (Primary Survey Model) : 3.9029 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4260

Biowin6 (MITI Non-Linear Model): 0.3500

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1709

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.4659

BioHC Half-Life (days) : 2.9238

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

Vapor pressure (liquid/subcooled): 55.7 Pa (0.418 mm Hg)

Log Koa (Koawin est ): 3.813

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

Mackay model : 5.38E-008

Octanol/air (Koa) model: 1.6E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.94E-006

Mackay model : 4.31E-006

Octanol/air (Koa) model: 1.28E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 212.4149 E-12 cm3/molecule-sec

Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.604 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 6.075000 E-17 cm3/molecule-sec

Half-Life = 0.189 Days (at 7E11 mol/cm3)

Half-Life = 4.527 Hrs

Fraction sorbed to airborne particulates (phi):

3.13E-006 (Junge-Pankow, Mackay avg)

1.28E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2644 L/kg (MCI method)

Log Koc: 3.422 (MCI method)

Koc : 2.016E+004 L/kg (Kow method)

Log Koc: 4.304 (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 = 2.941 (BCF = 873 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8251 days (HL = 6.684 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.308 (BCF = 2033)

Log BAF Arnot-Gobas method (upper trophic) = 3.378 (BAF = 2390)

log Kow used: 4.96 (estimated)

Volatilization from Water:

Henry LC: 0.0315 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.265 hours

Half-Life from Model Lake : 115.9 hours (4.829 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.42 percent

Total biodegradation: 0.24 percent

Total sludge adsorption: 52.50 percent

Total to Air: 42.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.536 0.954 1000

Water 34.3 360 1000

Soil 62.3 720 1000

Sediment 2.89 3.24e+003 0

Persistence Time: 180 hr

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