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CAS Num: 000629-94-7


CHEM : Heneicosane

MOL FOR: C21 H44

MOL WT : 296.59

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 10.65

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

Boiling Pt (deg C): 346.02 (Adapted Stein & Brown method)

Melting Pt (deg C): 62.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000142 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0189 (Modified Grain method)

MP (exp database): 40.5 deg C

BP (exp database): 356.5 deg C

VP (exp database): 8.73E-05 mm Hg (1.16E-002 Pa) at 25 deg C

Subcooled liquid VP: 0.000124 mm Hg (25 deg C, exp database VP )

: 0.0166 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 2.972e-006

log Kow used: 10.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.9659e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.20E+002 atm-m3/mole (1.21E+007 Pa-m3/mole)

Group Method: 3.01E+002 atm-m3/mole (3.05E+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: 1.865E+001 atm-m3/mole (1.889E+006 Pa-m3/mole)

VP: 0.000142 mm Hg (source: MPBPVP)

WS: 2.97E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.65 (KowWin est)

Log Kaw used: 3.691 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.959

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8232

Biowin2 (Non-Linear Model) : 0.9231

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1404 (weeks )

Biowin4 (Primary Survey Model) : 3.9580 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7695

Biowin6 (MITI Non-Linear Model): 0.8969

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5353

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.6681

BioHC Half-Life (days) : 46.5658

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

Vapor pressure (liquid/subcooled): 0.0165 Pa (0.000124 mm Hg)

Log Koa (Koawin est ): 6.959

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

Mackay model : 0.000181

Octanol/air (Koa) model: 2.23E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00651

Mackay model : 0.0143

Octanol/air (Koa) model: 0.000179

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.6540 E-12 cm3/molecule-sec

Half-Life = 0.401 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.815 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0104 (Junge-Pankow, Mackay avg)

0.000179 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.068E+006 L/kg (MCI method)

Log Koc: 6.029 (MCI method)

Koc : 1.749E+009 L/kg (Kow method)

Log Koc: 9.243 (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 = 1.737 (BCF = 54.55 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.9950 days (HL = 98.85 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.647 (BCF = 4.431)

Log BAF Arnot-Gobas method (upper trophic) = 3.913 (BAF = 8180)

log Kow used: 10.65 (estimated)

Volatilization from Water:

Henry LC: 120 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.757 hours

Half-Life from Model Lake : 163.6 hours (6.816 days)

Removal In Wastewater Treatment:

Total removal: 94.32 percent

Total biodegradation: 0.75 percent

Total sludge adsorption: 91.67 percent

Total to Air: 1.90 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.64 9.63 1000

Water 80.9 360 1000

Soil 12.3 720 1000

Sediment 1.14 3.24e+003 0

Persistence Time: 141 hr

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