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CAS Num: 001002-84-2


CHEM : Pentadecanoic acid

MOL FOR: C15 H30 O2

MOL WT : 242.41

------------------------------ 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) = 6.47

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

Boiling Pt (deg C): 347.23 (Adapted Stein & Brown method)

Melting Pt (deg C): 108.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000134 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0179 (Modified Grain method)

MP (exp database): 52.3 deg C

BP (exp database): 339.1 deg C

VP (exp database): 4.35E-07 mm Hg (5.80E-005 Pa) at 25 deg C

Subcooled liquid VP: 8.1E-007 mm Hg (25 deg C, exp database VP )

: 0.000108 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 0.1925

log Kow used: 6.47 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.3251 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 : 2.18E-005 atm-m3/mole (2.21E+000 Pa-m3/mole)

Group Method: 2.62E-005 atm-m3/mole (2.66E+000 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: 2.220E-004 atm-m3/mole (2.250E+001 Pa-m3/mole)

VP: 0.000134 mm Hg (source: MPBPVP)

WS: 0.193 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.47 (KowWin est)

Log Kaw used: -3.050 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.520

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8133

Biowin2 (Non-Linear Model) : 0.8863

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3264 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1526 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8150

Biowin6 (MITI Non-Linear Model): 0.9060

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9634

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): 0.000108 Pa (8.1E-007 mm Hg)

Log Koa (Koawin est ): 9.520

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

Mackay model : 0.0278

Octanol/air (Koa) model: 0.000813

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.501

Mackay model : 0.69

Octanol/air (Koa) model: 0.0611

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.2413 E-12 cm3/molecule-sec

Half-Life = 0.586 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.036 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.595 (Junge-Pankow, Mackay avg)

0.0611 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1932 L/kg (MCI method)

Log Koc: 3.286 (MCI method)

Koc : 5426 L/kg (Kow method)

Log Koc: 3.734 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8041 days (HL = 6.37 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.185 (BCF = 1533)

Log BAF Arnot-Gobas method (upper trophic) = 3.953 (BAF = 8978)

log Kow used: 6.47 (estimated)

Volatilization from Water:

Henry LC: 2.62E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 36.38 hours (1.516 days)

Half-Life from Model Lake : 527.4 hours (21.98 days)

Removal In Wastewater Treatment:

Total removal: 93.39 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.61 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 2.07 14.1 1000

Water 26.2 208 1000

Soil 70.7 416 1000

Sediment 0.961 1.87e+003 0

Persistence Time: 282 hr

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