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CAS Num: 000630-01-3


CHEM : Hexacosane

MOL FOR: C26 H54

MOL WT : 366.72

------------------------------ 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) = 13.11

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

Boiling Pt (deg C): 404.04 (Adapted Stein & Brown method)

Melting Pt (deg C): 115.94 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.26E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000702 (Modified Grain method)

MP (exp database): 56.4 deg C

BP (exp database): 412.2 deg C

VP (exp database): 4.69E-07 mm Hg (6.25E-005 Pa) at 25 deg C

Subcooled liquid VP: 9.59E-007 mm Hg (25 deg C, exp database VP )

: 0.000128 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 9.071e-009

log Kow used: 13.11 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.0017 mg/L (25 deg C)

Exper. Ref: SHAW,DG (1989)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.6672e-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 : 4.94E+002 atm-m3/mole (5.00E+007 Pa-m3/mole)

Group Method: 1.69E+003 atm-m3/mole (1.71E+008 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: 2.798E+002 atm-m3/mole (2.835E+007 Pa-m3/mole)

VP: 5.26E-006 mm Hg (source: MPBPVP)

WS: 9.07E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.11 (KowWin est)

Log Kaw used: 4.305 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.805

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7898

Biowin2 (Non-Linear Model) : 0.8159

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9854 (weeks )

Biowin4 (Primary Survey Model) : 3.8568 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8080

Biowin6 (MITI Non-Linear Model): 0.9077

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6652

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.8896

BioHC Half-Life (days) : 77.5580

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

Vapor pressure (liquid/subcooled): 0.000128 Pa (9.59E-007 mm Hg)

Log Koa (Koawin est ): 8.805

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

Mackay model : 0.0235

Octanol/air (Koa) model: 0.000157

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.459

Mackay model : 0.652

Octanol/air (Koa) model: 0.0124

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.7193 E-12 cm3/molecule-sec

Half-Life = 0.317 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.806 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.556 (Junge-Pankow, Mackay avg)

0.0124 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.148E+007 L/kg (MCI method)

Log Koc: 7.332 (MCI method)

Koc : 2.387E+011 L/kg (Kow method)

Log Koc: 11.378 (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 = 1.130 (BCF = 13.49 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.6907 days (HL = 490.6 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.032 (BCF = 0.9283)

Log BAF Arnot-Gobas method (upper trophic) = 2.176 (BAF = 150)

log Kow used: 13.11 (estimated)

Volatilization from Water:

Henry LC: 494 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.954 hours

Half-Life from Model Lake : 181.9 hours (7.579 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.23 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.13 7.61 1000

Water 60.1 360 1000

Soil 36.7 720 1000

Sediment 0.0592 3.24e+003 0

Persistence Time: 190 hr

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