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CAS Number: 542-47-2

SMILES : CCCCCCCCC(C)CCCCCCCCC(=O)O

CHEM : 10-methyloctadecanoic acid

MOL FOR: C19 H38 O2

MOL WT : 298.51

------------------------------ 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) = 8.36

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

Boiling Pt (deg C): 386.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 133.51 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.43E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00019 (Modified Grain method)

Subcooled liquid VP: 1.75E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00233 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.002247

log Kow used: 8.36 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.004771 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 : 6.77E-005 atm-m3/mole (6.86E+000 Pa-m3/mole)

Group Method: 1.25E-004 atm-m3/mole (1.27E+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: 2.500E-004 atm-m3/mole (2.533E+001 Pa-m3/mole)

VP: 1.43E-006 mm Hg (source: MPBPVP)

WS: 0.00225 mg/L (source: WSKOWWIN)

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

Log Kow used: 8.36 (KowWin est)

Log Kaw used: -2.558 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.918

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7866

Biowin2 (Non-Linear Model) : 0.7784

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2024 (weeks )

Biowin4 (Primary Survey Model) : 4.0717 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6966

Biowin6 (MITI Non-Linear Model): 0.8060

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7700

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): 0.00233 Pa (1.75E-005 mm Hg)

Log Koa (Koawin est ): 10.918

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

Mackay model : 0.00129

Octanol/air (Koa) model: 0.0203

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0444

Mackay model : 0.0933

Octanol/air (Koa) model: 0.619

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.1697 E-12 cm3/molecule-sec

Half-Life = 0.443 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.310 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0688 (Junge-Pankow, Mackay avg)

0.619 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.877E+004 L/kg (MCI method)

Log Koc: 4.273 (MCI method)

Koc : 6.024E+004 L/kg (Kow method)

Log Koc: 4.780 (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 = 1.000 (BCF = 10 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3436 days (HL = 22.06 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.238 (BCF = 172.9)

Log BAF Arnot-Gobas method (upper trophic) = 4.873 (BAF = 7.469e+004)

log Kow used: 8.36 (estimated)

Volatilization from Water:

Henry LC: 0.000125 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 9.856 hours

Half-Life from Model Lake : 252.4 hours (10.52 days)

Removal In Wastewater Treatment:

Total removal: 94.03 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.25 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 0.935 10.6 1000

Water 23.6 360 1000

Soil 74.4 720 1000

Sediment 1.06 3.24e+003 0

Persistence Time: 473 hr

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