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CAS Num: 000629-62-9


CHEM : Pentadecane

MOL FOR: C15 H32

MOL WT : 212.42

------------------------------ 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) = 7.71

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

Boiling Pt (deg C): 260.59 (Adapted Stein & Brown method)

Melting Pt (deg C): 12.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0153 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.03 (Mean VP of Antoine & Grain methods)

MP (exp database): 9.9 deg C

BP (exp database): 270.6 deg C

VP (exp database): 3.43E-03 mm Hg (4.57E-001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 0.002866

log Kow used: 7.71 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 7.6e-005 mg/L (25 deg C)

Exper. Ref: COATES,M ET AL. (1985)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00028271 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.19E+001 atm-m3/mole (2.22E+006 Pa-m3/mole)

Group Method: 3.79E+001 atm-m3/mole (3.84E+006 Pa-m3/mole)

Exper Database: 1.26E+01 atm-m3/mole (1.28E+006 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: 1.492E+000 atm-m3/mole (1.512E+005 Pa-m3/mole)

VP: 0.0153 mm Hg (source: MPBPVP)

WS: 0.00287 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.71 (KowWin est)

Log Kaw used: 2.712 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.998

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8633

Biowin2 (Non-Linear Model) : 0.9754

Expert Survey Biodegradation Results:

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

Biowin4 (Primary Survey Model) : 4.0794 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7234

Biowin6 (MITI Non-Linear Model): 0.8824

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3794

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.2697

BioHC Half-Life (days) : 18.6063

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

Vapor pressure (liquid/subcooled): 0.457 Pa (0.00343 mm Hg)

Log Koa (Koawin est ): 4.998

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

Mackay model : 6.56E-006

Octanol/air (Koa) model: 2.44E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000237

Mackay model : 0.000525

Octanol/air (Koa) model: 1.95E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.1757 E-12 cm3/molecule-sec

Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.062 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000381 (Junge-Pankow, Mackay avg)

1.95E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.916E+004 L/kg (MCI method)

Log Koc: 4.465 (MCI method)

Koc : 4.91E+006 L/kg (Kow method)

Log Koc: 6.691 (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 = 3.181 (BCF = 1516 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1601 days (HL = 14.46 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.671 (BCF = 469.1)

Log BAF Arnot-Gobas method (upper trophic) = 4.861 (BAF = 7.266e+004)

log Kow used: 7.71 (estimated)

Volatilization from Water:

Henry LC: 12.6 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.487 hours

Half-Life from Model Lake : 138.4 hours (5.768 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 98.92 percent

Total biodegradation: 0.28 percent

Total sludge adsorption: 65.87 percent

Total to Air: 32.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 11.1 11.6 1000

Water 72.4 208 1000

Soil 5.61 416 1000

Sediment 10.9 1.87e+003 0

Persistence Time: 90.6 hr

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