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CAS Number: 13257-34-6



MOL FOR: C20 H39 O2 Na1

MOL WT : 334.52

------------------------------ 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) = 5.12

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

Boiling Pt (deg C): 601.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 259.88 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.85E-013 (Modified Grain method)

VP (Pa, 25 deg C) : 2.47E-011 (Modified Grain method)

Subcooled liquid VP: 6.86E-011 mm Hg (25 deg C, Mod-Grain method)

: 9.14E-009 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.3284

log Kow used: 5.12 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.00023003 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 9.02E-005 atm-m3/mole (9.14E+000 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.480E-013 atm-m3/mole (2.512E-008 Pa-m3/mole)

VP: 1.85E-013 mm Hg (source: MPBPVP)

WS: 0.328 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.12 (KowWin est)

Log Kaw used: -2.433 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.553

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7799

Biowin2 (Non-Linear Model) : 0.7422

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1714 (weeks )

Biowin4 (Primary Survey Model) : 4.0515 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8534

Biowin6 (MITI Non-Linear Model): 0.9159

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0934

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): 9.15E-009 Pa (6.86E-011 mm Hg)

Log Koa (Koawin est ): 7.553

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

Mackay model : 328

Octanol/air (Koa) model: 8.77E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 0.000701

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.2810 E-12 cm3/molecule-sec

Half-Life = 0.441 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.286 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

0.000701 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.885E+004 L/kg (MCI method)

Log Koc: 4.589 (MCI method)

Koc : 972.2 L/kg (Kow method)

Log Koc: 2.988 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1749 days (HL = 14.96 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.192 (BCF = 15.57)

Log BAF Arnot-Gobas method (upper trophic) = 3.621 (BAF = 4183)

log Kow used: 9.29 (expkow database)

Volatilization from Water:

Henry LC: 9.02E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 13.74 hours

Half-Life from Model Lake : 303.2 hours (12.63 days)

Removal In Wastewater Treatment:

Total removal: 81.40 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 80.06 percent

Total to Air: 0.64 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.577 10.6 1000

Water 14.1 360 1000

Soil 70.1 720 1000

Sediment 15.3 3.24e+003 0

Persistence Time: 642 hr

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