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CAS Num: 000630-02-4

SMILES : C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C

CHEM : Octacosane

MOL FOR: C28 H58

MOL WT : 394.77

------------------------------ 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) = 14.09

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

Boiling Pt (deg C): 427.25 (Adapted Stein & Brown method)

Melting Pt (deg C): 133.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.55E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000206 (Modified Grain method)

MP (exp database): 64.5 deg C

BP (exp database): 431.6 deg C

VP (exp database): 1.60E-09 mm Hg (2.13E-007 Pa) at 25 deg C

Subcooled liquid VP: 3.93E-009 mm Hg (25 deg C, exp database VP )

: 5.24E-007 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 8.844e-010

log Kow used: 14.09 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.9477e-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 : 8.70E+002 atm-m3/mole (8.82E+007 Pa-m3/mole)

Group Method: 3.38E+003 atm-m3/mole (3.42E+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: 9.104E+002 atm-m3/mole (9.224E+007 Pa-m3/mole)

VP: 1.55E-006 mm Hg (source: MPBPVP)

WS: 8.84E-010 mg/L (source: WSKOWWIN)

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

Log Kow used: 14.09 (KowWin est)

Log Kaw used: 4.551 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.539

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7765

Biowin2 (Non-Linear Model) : 0.7484

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9234 (weeks )

Biowin4 (Primary Survey Model) : 3.8163 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8233

Biowin6 (MITI Non-Linear Model): 0.9117

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7172

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 2.0224

BioHC Half-Life (days) : 105.3001

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

Vapor pressure (liquid/subcooled): 5.24E-007 Pa (3.93E-009 mm Hg)

Log Koa (Koawin est ): 9.539

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

Mackay model : 5.73

Octanol/air (Koa) model: 0.000849

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.995

Mackay model : 0.998

Octanol/air (Koa) model: 0.0636

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.5454 E-12 cm3/molecule-sec

Half-Life = 0.293 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.512 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.997 (Junge-Pankow, Mackay avg)

0.0636 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7.133E+007 L/kg (MCI method)

Log Koc: 7.853 (MCI method)

Koc : 1.692E+012 L/kg (Kow method)

Log Koc: 12.228 (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 = 0.649 (BCF = 4.455 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.9690 days (HL = 931.2 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8977)

Log BAF Arnot-Gobas method (upper trophic) = 1.354 (BAF = 22.59)

log Kow used: 14.09 (estimated)

Volatilization from Water:

Henry LC: 870 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.027 hours

Half-Life from Model Lake : 188.7 hours (7.863 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.22 7.02 1000

Water 49.3 360 1000

Soil 48.5 720 1000

Sediment 0.0169 3.24e+003 0

Persistence Time: 232 hr

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