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CAS Number: 544-57-0

SMILES : O=C(C(O)CCCCCCCCCCCCCCCCCCCCCC)O

CHEM : 2-HYDROXYTETRACOSANOIC ACID

MOL FOR: C24 H48 O3

MOL WT : 384.65

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 9.66

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

Boiling Pt (deg C): 484.38 (Adapted Stein & Brown method)

Melting Pt (deg C): 194.03 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.36E-012 (Modified Grain method)

VP (Pa, 25 deg C) : 1.25E-009 (Modified Grain method)

Subcooled liquid VP: 5.59E-010 mm Hg (25 deg C, Mod-Grain method)

: 7.45E-008 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.0001709

log Kow used: 9.66 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0003084 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 4.35E-005 atm-m3/mole (4.41E+000 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.772E-008 atm-m3/mole (2.809E-003 Pa-m3/mole)

VP: 9.36E-012 mm Hg (source: MPBPVP)

WS: 0.000171 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.66 (KowWin est)

Log Kaw used: -2.750 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.410

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9043

Biowin2 (Non-Linear Model) : 0.7597

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1721 (weeks )

Biowin4 (Primary Survey Model) : 4.0769 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8976

Biowin6 (MITI Non-Linear Model): 0.9241

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.1383

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): 7.45E-008 Pa (5.59E-010 mm Hg)

Log Koa (Koawin est ): 12.410

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

Mackay model : 40.3

Octanol/air (Koa) model: 0.631

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 0.981

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 36.5008 E-12 cm3/molecule-sec

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

Half-Life = 3.516 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.981 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.374E+004 L/kg (MCI method)

Log Koc: 4.528 (MCI method)

Koc : 1.223E+005 L/kg (Kow method)

Log Koc: 5.088 (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) = 1.3614 days (HL = 22.98 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.012 (BCF = 10.27)

Log BAF Arnot-Gobas method (upper trophic) = 3.700 (BAF = 5010)

log Kow used: 9.66 (estimated)

Volatilization from Water:

Henry LC: 4.35E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 28.4 hours (1.183 days)

Half-Life from Model Lake : 474.3 hours (19.76 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 0.452 7.03 1000

Water 21.8 360 1000

Soil 77.6 720 1000

Sediment 0.0955 3.24e+003 0

Persistence Time: 533 hr

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