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CAS Number: 68551-17-7

SMILES : C(C)(C)C(C)(C)C(C)(C)C=C

CHEM : Alkanes, C10-13-iso-

MOL FOR: C11 H22

MOL WT : 154.30

------------------------------ 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) = 5.31

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

Boiling Pt (deg C): 127.37 (Adapted Stein & Brown method)

Melting Pt (deg C): -55.32 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 13.7 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.83E+003 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 0.614

log Kow used: 5.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.3515 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.48E+000 atm-m3/mole (1.50E+005 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: 4.530E+000 atm-m3/mole (4.590E+005 Pa-m3/mole)

VP: 13.7 mm Hg (source: MPBPVP)

WS: 0.614 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.31 (KowWin est)

Log Kaw used: 1.782 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.528

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3062

Biowin2 (Non-Linear Model) : 0.0673

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4340 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3182 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3587

Biowin6 (MITI Non-Linear Model): 0.2634

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6962

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5286

BioHC Half-Life (days) : 33.7734

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

Vapor pressure (liquid/subcooled): 1.71E+003 Pa (12.8 mm Hg)

Log Koa (Koawin est ): 3.528

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

Mackay model : 1.76E-009

Octanol/air (Koa) model: 8.28E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.35E-008

Mackay model : 1.41E-007

Octanol/air (Koa) model: 6.62E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 29.6899 E-12 cm3/molecule-sec

Half-Life = 0.360 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.323 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

1.02E-007 (Junge-Pankow, Mackay avg)

6.62E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1197 L/kg (MCI method)

Log Koc: 3.078 (MCI method)

Koc : 4.056E+004 L/kg (Kow method)

Log Koc: 4.608 (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 = 3.171 (BCF = 1484 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6788 days (HL = 4.773 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.229 (BCF = 1693)

Log BAF Arnot-Gobas method (upper trophic) = 3.313 (BAF = 2056)

log Kow used: 5.31 (estimated)

Volatilization from Water:

Henry LC: 1.48 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.268 hours

Half-Life from Model Lake : 118 hours (4.916 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.87 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 53.61 percent

Total to Air: 46.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 9.57 8.2 1000

Water 82.6 900 1000

Soil 2.39 1.8e+003 1000

Sediment 5.46 8.1e+003 0

Persistence Time: 95 hr

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