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CAS Number: 3452-07-1

SMILES : C(=C)CCCCCCCCCCCCCCCCCC

CHEM : 1-Eicosene

MOL FOR: C20 H40

MOL WT : 280.54

------------------------------ 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) = 10.03

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

Boiling Pt (deg C): 333.05 (Adapted Stein & Brown method)

Melting Pt (deg C): 50.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000409 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0545 (Modified Grain method)

MP (exp database): 28.5 deg C

BP (exp database): 341 deg C

VP (exp database): 1.06E-05 mm Hg (1.41E-003 Pa) at 25 deg C

Subcooled liquid VP: 1.15E-005 mm Hg (25 deg C, exp database VP )

: 0.00153 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 1.264e-005

log Kow used: 10.03 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.5539e-006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.89E+001 atm-m3/mole (1.92E+006 Pa-m3/mole)

Group Method: 6.74E+001 atm-m3/mole (6.83E+006 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: 1.194E+001 atm-m3/mole (1.210E+006 Pa-m3/mole)

VP: 0.000409 mm Hg (source: MPBPVP)

WS: 1.26E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.03 (KowWin est)

Log Kaw used: 2.888 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.142

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7224

Biowin2 (Non-Linear Model) : 0.7045

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8775 (weeks )

Biowin4 (Primary Survey Model) : 3.7121 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7366

Biowin6 (MITI Non-Linear Model): 0.8621

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6600

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5018

BioHC Half-Life (days) : 31.7530

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

Vapor pressure (liquid/subcooled): 0.00153 Pa (1.15E-005 mm Hg)

Log Koa (Koawin est ): 7.142

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

Mackay model : 0.00196

Octanol/air (Koa) model: 3.4E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.066

Mackay model : 0.135

Octanol/air (Koa) model: 0.000272

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 49.9606 E-12 cm3/molecule-sec

Half-Life = 0.214 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.569 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.101 (Junge-Pankow, Mackay avg)

0.000272 (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 : 5.066E+008 L/kg (Kow method)

Log Koc: 8.705 (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 = 2.044 (BCF = 110.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.8122 days (HL = 64.89 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.057 (BCF = 11.4)

Log BAF Arnot-Gobas method (upper trophic) = 4.248 (BAF = 1.769e+004)

log Kow used: 10.03 (estimated)

Volatilization from Water:

Henry LC: 18.9 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.709 hours

Half-Life from Model Lake : 159.1 hours (6.629 days)

Removal In Wastewater Treatment:

Total removal: 94.22 percent

Total biodegradation: 0.76 percent

Total sludge adsorption: 92.20 percent

Total to Air: 1.27 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.04 4.2 1000

Water 65.6 360 1000

Soil 30.2 720 1000

Sediment 2.11 3.24e+003 0

Persistence Time: 173 hr

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