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CAS Number: 155800-89-8

SMILES : CCCCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

CHEM :

MOL FOR: C32 H66 O2

MOL WT : 482.88

------------------------------ 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) = 13.39

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

Boiling Pt (deg C): 539.08 (Adapted Stein & Brown method)

Melting Pt (deg C): 214.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.24E-014 (Modified Grain method)

VP (Pa, 25 deg C) : 4.32E-012 (Modified Grain method)

Subcooled liquid VP: 3.39E-012 mm Hg (25 deg C, Mod-Grain method)

: 4.52E-010 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.408e-009

log Kow used: 13.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.8288e-007 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 6.43E-004 atm-m3/mole (6.51E+001 Pa-m3/mole)

Group Method: 4.88E-006 atm-m3/mole (4.95E-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: 6.040E-006 atm-m3/mole (6.121E-001 Pa-m3/mole)

VP: 3.24E-014 mm Hg (source: MPBPVP)

WS: 3.41E-009 mg/L (source: WSKOWWIN)

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

Log Kow used: 13.39 (KowWin est)

Log Kaw used: -1.580 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.970

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0520

Biowin2 (Non-Linear Model) : 0.8884

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0487 (weeks )

Biowin4 (Primary Survey Model) : 3.9481 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8810

Biowin6 (MITI Non-Linear Model): 0.9212

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7030

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): 4.52E-010 Pa (3.39E-012 mm Hg)

Log Koa (Koawin est ): 14.970

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

Mackay model : 6.64E+003

Octanol/air (Koa) model: 229

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 60.1966 E-12 cm3/molecule-sec

Half-Life = 0.178 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.132 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.685E+006 L/kg (MCI method)

Log Koc: 6.671 (MCI method)

Koc : 3.226E+007 L/kg (Kow method)

Log Koc: 7.509 (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 = 0.995 (BCF = 9.878 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0690 days (HL = 117.2 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9005)

Log BAF Arnot-Gobas method (upper trophic) = 1.306 (BAF = 20.22)

log Kow used: 13.39 (estimated)

Volatilization from Water:

Henry LC: 0.000643 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.243 hours

Half-Life from Model Lake : 230.5 hours (9.606 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 0.323 4.26 1000

Water 22.7 360 1000

Soil 77 720 1000

Sediment 0.00256 3.24e+003 0

Persistence Time: 510 hr

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