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CAS Number: 68439-53-2



CHEM : Alcohols, lanolin, propoxylated

MOL FOR: C42 H76 O6

MOL WT : 677.07

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 9.45

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

Boiling Pt (deg C): 635.87 (Adapted Stein & Brown method)

Melting Pt (deg C): 276.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.83E-017 (Modified Grain method)

VP (Pa, 25 deg C) : 2.44E-015 (Modified Grain method)

Subcooled liquid VP: 1.07E-014 mm Hg (25 deg C, Mod-Grain method)

: 1.43E-012 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.359e-006

log Kow used: 9.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0017354 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.25E-013 atm-m3/mole (6.33E-008 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: 1.200E-011 atm-m3/mole (1.216E-006 Pa-m3/mole)

VP: 1.83E-017 mm Hg (source: MPBPVP)

WS: 1.36E-006 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.45 (KowWin est)

Log Kaw used: -10.593 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 20.043

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -1.5207

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.3953 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.6448 (weeks-months)

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.7275

Biowin6 (MITI Non-Linear Model): 0.0000

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -3.5710

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 1.43E-012 Pa (1.07E-014 mm Hg)

Log Koa (Koawin est ): 20.043

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

Mackay model : 2.1E+006

Octanol/air (Koa) model: 2.71E+007

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 = 242.6077 E-12 cm3/molecule-sec

Half-Life = 0.044 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.529 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec

Half-Life = 0.155 Days (at 7E11 mol/cm3)

Half-Life = 3.720 Hrs

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 : 6.154E+006 L/kg (MCI method)

Log Koc: 6.789 (MCI method)

Koc : 1.94E+005 L/kg (Kow method)

Log Koc: 5.288 (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 = 2.921 (BCF = 834.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0282 days (HL = 106.7 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.776 (BCF = 59.72)

Log BAF Arnot-Gobas method (upper trophic) = 5.149 (BAF = 1.409e+005)

log Kow used: 9.45 (estimated)

Volatilization from Water:

Henry LC: 6.25E-013 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.438E+009 hours (1.016E+008 days)

Half-Life from Model Lake : 2.659E+010 hours (1.108E+009 days)

Removal In Wastewater Treatment:

Total removal: 94.03 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 0.00649 0.824 1000

Water 4.23 4.32e+003 1000

Soil 73.4 8.64e+003 1000

Sediment 22.3 3.89e+004 0

Persistence Time: 5.82e+003 hr

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