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CAS Number: 61886-66-6

SMILES : CCCCCCCCCCCCCCCCC#CCC

CHEM :

MOL FOR: C20 H38

MOL WT : 278.53

------------------------------ 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) = 9.45

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

Boiling Pt (deg C): 342.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 107.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.3E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0084 (Modified Grain method)

Subcooled liquid VP: 0.000401 mm Hg (25 deg C, Mod-Grain method)

: 0.0535 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.051e-005

log Kow used: 9.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.823e-005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.00E+000 atm-m3/mole (1.01E+005 Pa-m3/mole)

Group Method: 2.45E+000 atm-m3/mole (2.48E+005 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: 5.699E-001 atm-m3/mole (5.775E+004 Pa-m3/mole)

VP: 6.3E-005 mm Hg (source: MPBPVP)

WS: 4.05E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.45 (KowWin est)

Log Kaw used: 1.612 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.838

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7234

Biowin2 (Non-Linear Model) : 0.7104

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8820 (weeks )

Biowin4 (Primary Survey Model) : 3.7150 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6750

Biowin6 (MITI Non-Linear Model): 0.8015

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7750

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.3584

BioHC Half-Life (days) : 22.8253

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

Vapor pressure (liquid/subcooled): 0.0535 Pa (0.000401 mm Hg)

Log Koa (Koawin est ): 7.838

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

Mackay model : 5.61E-005

Octanol/air (Koa) model: 1.69E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00202

Mackay model : 0.00447

Octanol/air (Koa) model: 0.00135

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 48.9358 E-12 cm3/molecule-sec

Half-Life = 0.219 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.623 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec

Half-Life = 382.000 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.00325 (Junge-Pankow, Mackay avg)

0.00135 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.862E+005 L/kg (MCI method)

Log Koc: 5.768 (MCI method)

Koc : 1.589E+008 L/kg (Kow method)

Log Koc: 8.201 (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 = 2.328 (BCF = 212.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.5638 days (HL = 36.63 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.392 (BCF = 24.67)

Log BAF Arnot-Gobas method (upper trophic) = 4.352 (BAF = 2.251e+004)

log Kow used: 9.45 (estimated)

Volatilization from Water:

Henry LC: 2.45 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.703 hours

Half-Life from Model Lake : 158.5 hours (6.605 days)

Removal In Wastewater Treatment:

Total removal: 94.13 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.73 percent

Total to Air: 0.63 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.02 5.24 1000

Water 34.1 360 1000

Soil 60.7 720 1000

Sediment 4.14 3.24e+003 0

Persistence Time: 329 hr

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