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CAS Number: 557-59-5

SMILES : O=C(O)CCCCCCCCCCCCCCCCCCCCCCC

CHEM : Tetracosanoic acid

MOL FOR: C24 H48 O2

MOL WT : 368.65

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 10.89

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

Boiling Pt (deg C): 451.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 174.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.21E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 1.62E-005 (Modified Grain method)

MP (exp database): 84.2 deg C

Subcooled liquid VP: 4.47E-007 mm Hg (25 deg C, Mod-Grain method)

: 5.96E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 5.928e-006

log Kow used: 10.89 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.2597e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 2.79E-004 atm-m3/mole (2.83E+001 Pa-m3/mole)

Group Method: 5.87E-004 atm-m3/mole (5.95E+001 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: 9.901E-003 atm-m3/mole (1.003E+003 Pa-m3/mole)

VP: 1.21E-007 mm Hg (source: MPBPVP)

WS: 5.93E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 10.89 (KowWin est)

Log Kaw used: -1.943 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.833

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7532

Biowin2 (Non-Linear Model) : 0.5648

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0474 (weeks )

Biowin4 (Primary Survey Model) : 3.9705 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8841

Biowin6 (MITI Non-Linear Model): 0.9232

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1973

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 5.96E-005 Pa (4.47E-007 mm Hg)

Log Koa (Koawin est ): 12.833

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

Mackay model : 0.0503

Octanol/air (Koa) model: 1.67

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.645

Mackay model : 0.801

Octanol/air (Koa) model: 0.993

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.9587 E-12 cm3/molecule-sec

Half-Life = 0.345 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.146 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.723 (Junge-Pankow, Mackay avg)

0.993 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.285E+005 L/kg (MCI method)

Log Koc: 5.632 (MCI method)

Koc : 1.511E+006 L/kg (Kow method)

Log Koc: 6.179 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0565 days (HL = 113.9 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.504 (BCF = 3.193)

Log BAF Arnot-Gobas method (upper trophic) = 3.764 (BAF = 5808)

log Kow used: 10.89 (estimated)

Volatilization from Water:

Henry LC: 0.000587 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.874 hours

Half-Life from Model Lake : 203.3 hours (8.469 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 0.692 8.29 1000

Water 23.7 360 1000

Soil 75.5 720 1000

Sediment 0.0774 3.24e+003 0

Persistence Time: 483 hr

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