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CAS Num: 000629-76-5

SMILES : OCCCCCCCCCCCCCCC

CHEM : 1-Pentadecanol

MOL FOR: C15 H32 O1

MOL WT : 228.42

------------------------------ 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) = 6.24

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

Boiling Pt (deg C): 317.69 (Adapted Stein & Brown method)

Melting Pt (deg C): 59.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.84E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00378 (Modified Grain method)

MP (exp database): 45-46 deg C

VP (exp database): 3.85E-05 mm Hg (5.13E-003 Pa) at 25 deg C

Subcooled liquid VP: 6.07E-005 mm Hg (25 deg C, exp database VP )

: 0.00809 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 0.468

log Kow used: 6.24 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.103 mg/L (25 deg C)

Exper. Ref: BARTON,AFM (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.23424 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.25E-004 atm-m3/mole (2.28E+001 Pa-m3/mole)

Group Method: 4.35E-004 atm-m3/mole (4.41E+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: 1.824E-005 atm-m3/mole (1.848E+000 Pa-m3/mole)

VP: 2.84E-005 mm Hg (source: MPBPVP)

WS: 0.468 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.24 (KowWin est)

Log Kaw used: -2.036 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.276

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9060

Biowin2 (Non-Linear Model) : 0.9386

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1527 (weeks )

Biowin4 (Primary Survey Model) : 3.9167 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8860

Biowin6 (MITI Non-Linear Model): 0.9511

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9354

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): 0.00809 Pa (6.07E-005 mm Hg)

Log Koa (Koawin est ): 8.276

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

Mackay model : 0.000371

Octanol/air (Koa) model: 4.63E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0132

Mackay model : 0.0288

Octanol/air (Koa) model: 0.00369

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.4336 E-12 cm3/molecule-sec

Half-Life = 0.477 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.721 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.021 (Junge-Pankow, Mackay avg)

0.00369 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2556 L/kg (MCI method)

Log Koc: 3.408 (MCI method)

Koc : 9230 L/kg (Kow method)

Log Koc: 3.965 (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 = 2.412 (BCF = 258.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3522 days (HL = 2.25 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.831 (BCF = 677.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.987 (BAF = 970.7)

log Kow used: 6.24 (estimated)

Volatilization from Water:

Henry LC: 0.000225 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.475 hours

Half-Life from Model Lake : 186.5 hours (7.769 days)

Removal In Wastewater Treatment:

Total removal: 92.97 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.07 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.38 11.4 1000

Water 19 360 1000

Soil 78.1 720 1000

Sediment 1.44 3.24e+003 0

Persistence Time: 437 hr

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