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CAS Number: 460-01-5

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

CHEM : (3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene

MOL FOR: C10 H14

MOL WT : 134.22

------------------------------ 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) = 4.66

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

Boiling Pt (deg C): 162.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -65.42 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.89 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 385 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 2.681

log Kow used: 4.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 38.827 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.05E-001 atm-m3/mole (3.09E+004 Pa-m3/mole)

Group Method: 1.02E-002 atm-m3/mole (1.03E+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: 1.904E-001 atm-m3/mole (1.929E+004 Pa-m3/mole)

VP: 2.89 mm Hg (source: MPBPVP)

WS: 2.68 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.66 (KowWin est)

Log Kaw used: 1.096 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.564

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6836

Biowin2 (Non-Linear Model) : 0.7508

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9026 (weeks )

Biowin4 (Primary Survey Model) : 3.6541 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3632

Biowin6 (MITI Non-Linear Model): 0.2531

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0888

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.2429

BioHC Half-Life (days) : 1.7494

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

Vapor pressure (liquid/subcooled): 352 Pa (2.64 mm Hg)

Log Koa (Koawin est ): 3.564

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

Mackay model : 8.52E-009

Octanol/air (Koa) model: 8.99E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.08E-007

Mackay model : 6.82E-007

Octanol/air (Koa) model: 7.2E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 241.6720 E-12 cm3/molecule-sec

Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.531 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 10.530000 E-17 cm3/molecule-sec

Half-Life = 0.109 Days (at 7E11 mol/cm3)

Half-Life = 2.612 Hrs

Fraction sorbed to airborne particulates (phi):

4.95E-007 (Junge-Pankow, Mackay avg)

7.2E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1074 L/kg (MCI method)

Log Koc: 3.031 (MCI method)

Koc : 1.107E+004 L/kg (Kow method)

Log Koc: 4.044 (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 = 2.743 (BCF = 553.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8326 days (HL = 6.801 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.234 (BCF = 1712)

Log BAF Arnot-Gobas method (upper trophic) = 3.271 (BAF = 1868)

log Kow used: 4.66 (estimated)

Volatilization from Water:

Henry LC: 0.0102 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.249 hours

Half-Life from Model Lake : 110.8 hours (4.615 days)

Removal In Wastewater Treatment:

Total removal: 88.04 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 46.88 percent

Total to Air: 40.89 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.382 0.755 1000

Water 31.9 360 1000

Soil 66.5 720 1000

Sediment 1.2 3.24e+003 0

Persistence Time: 195 hr

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