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CAS Number: 1599-67-3


CHEM : 1-Docosene

MOL FOR: C22 H44

MOL WT : 308.60

------------------------------ 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) = 11.01

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

Boiling Pt (deg C): 356.76 (Adapted Stein & Brown method)

Melting Pt (deg C): 70.75 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.64E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0115 (Modified Grain method)

MP (exp database): 38 deg C

BP (exp database): 367 deg C

Subcooled liquid VP: 0.000113 mm Hg (25 deg C, Mod-Grain method)

: 0.0151 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.259e-006

log Kow used: 11.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.2965e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.34E+001 atm-m3/mole (3.38E+006 Pa-m3/mole)

Group Method: 1.34E+002 atm-m3/mole (1.36E+007 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: 2.787E+001 atm-m3/mole (2.823E+006 Pa-m3/mole)

VP: 8.64E-005 mm Hg (source: MPBPVP)

WS: 1.26E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.01 (KowWin est)

Log Kaw used: 3.135 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.875

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7091

Biowin2 (Non-Linear Model) : 0.6155

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8156 (weeks )

Biowin4 (Primary Survey Model) : 3.6716 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7519

Biowin6 (MITI Non-Linear Model): 0.8679

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7120

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.6346

BioHC Half-Life (days) : 43.1109

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

Vapor pressure (liquid/subcooled): 0.0151 Pa (0.000113 mm Hg)

Log Koa (Koawin est ): 7.875

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

Mackay model : 0.000199

Octanol/air (Koa) model: 1.84E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00714

Mackay model : 0.0157

Octanol/air (Koa) model: 0.00147

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 52.7867 E-12 cm3/molecule-sec

Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.432 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):

0.0114 (Junge-Pankow, Mackay avg)

0.00147 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.947E+006 L/kg (MCI method)

Log Koc: 6.289 (MCI method)

Koc : 3.591E+009 L/kg (Kow method)

Log Koc: 9.555 (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 = 1.563 (BCF = 36.56 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0905 days (HL = 123.2 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.440 (BCF = 2.756)

Log BAF Arnot-Gobas method (upper trophic) = 3.692 (BAF = 4921)

log Kow used: 11.01 (estimated)

Volatilization from Water:

Henry LC: 33.4 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.793 hours

Half-Life from Model Lake : 166.9 hours (6.952 days)

Removal In Wastewater Treatment:

Total removal: 94.07 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.06 percent

Total to Air: 0.24 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.56 4.01 1000

Water 55.6 360 1000

Soil 42.2 720 1000

Sediment 0.625 3.24e+003 0

Persistence Time: 205 hr

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