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CAS Number: 22725-64-0


CHEM : octacosanal

MOL FOR: C28 H56 O1

MOL WT : 408.76

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

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 v1.67 estimate) = 12.60

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

Boiling Pt (deg C): 456.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 163.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.26E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.68E-006 (Modified Grain method)

Subcooled liquid VP: 3.36E-007 mm Hg (25 deg C, Mod-Grain method)

: 4.47E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 4.667e-008

log Kow used: 12.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.0876e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 1.07E-001 atm-m3/mole (1.09E+004 Pa-m3/mole)

Group Method: 4.77E-001 atm-m3/mole (4.83E+004 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: 1.452E-001 atm-m3/mole (1.471E+004 Pa-m3/mole)

VP: 1.26E-008 mm Hg (source: MPBPVP)

WS: 4.67E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.60 (KowWin est)

Log Kaw used: 0.641 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.959

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9460

Biowin2 (Non-Linear Model) : 0.9980

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6165 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7237 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1927

Biowin6 (MITI Non-Linear Model): 0.9906

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2371

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 4.48E-005 Pa (3.36E-007 mm Hg)

Log Koa (Koawin est ): 11.959

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

Mackay model : 0.067

Octanol/air (Koa) model: 0.223

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.707

Mackay model : 0.843

Octanol/air (Koa) model: 0.947

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 59.9182 E-12 cm3/molecule-sec

Half-Life = 0.179 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.142 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.775 (Junge-Pankow, Mackay avg)

0.947 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.23E+006 L/kg (MCI method)

Log Koc: 6.509 (MCI method)

Koc : 4.627E+007 L/kg (Kow method)

Log Koc: 7.665 (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 = 1.379 (BCF = 23.92 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.4427 days (HL = 277.1 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.010 (BCF = 0.9766)

Log BAF Arnot-Gobas method (upper trophic) = 2.491 (BAF = 310.1)

log Kow used: 12.60 (estimated)

Volatilization from Water:

Henry LC: 0.477 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.066 hours

Half-Life from Model Lake : 192.1 hours (8.003 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.167 4.28 1000

Water 17.4 900 1000

Soil 82.4 1.8e+003 1000

Sediment 0.0169 8.1e+003 0

Persistence Time: 1.1e+003 hr

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