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CAS Number: 4373-41-5



MOL FOR: C30 H48 O4

MOL WT : 472.71

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

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) = 6.82

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

Boiling Pt (deg C): 561.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 241.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.9E-015 (Modified Grain method)

VP (Pa, 25 deg C) : 3.86E-013 (Modified Grain method)

Subcooled liquid VP: 6.35E-013 mm Hg (25 deg C, Mod-Grain method)

: 8.47E-011 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.00396

log Kow used: 6.82 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.1584 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 3.53E-011 atm-m3/mole (3.58E-006 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: 4.555E-013 atm-m3/mole (4.615E-008 Pa-m3/mole)

VP: 2.9E-015 mm Hg (source: MPBPVP)

WS: 0.00396 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.82 (KowWin est)

Log Kaw used: -8.841 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 15.661

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.1909

Biowin2 (Non-Linear Model) : 0.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.5664 (recalcitrant)

Biowin4 (Primary Survey Model) : 2.8896 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4638

Biowin6 (MITI Non-Linear Model): 0.0191

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.2304

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): 8.47E-011 Pa (6.35E-013 mm Hg)

Log Koa (Koawin est ): 15.661

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

Mackay model : 3.54E+004

Octanol/air (Koa) model: 1.12E+003

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 = 132.0245 E-12 cm3/molecule-sec

Half-Life = 0.081 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.972 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 : 2.793E+004 L/kg (MCI method)

Log Koc: 4.446 (MCI method)

Koc : 1274 L/kg (Kow method)

Log Koc: 3.105 (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 = 1.750 (BCF = 56.23 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.0686 days (HL = 117.1 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.928 (BCF = 8480)

Log BAF Arnot-Gobas method (upper trophic) = 6.493 (BAF = 3.11e+006)

log Kow used: 6.82 (estimated)

Volatilization from Water:

Henry LC: 3.53E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.606E+007 hours (1.503E+006 days)

Half-Life from Model Lake : 3.934E+008 hours (1.639E+007 days)

Removal In Wastewater Treatment:

Total removal: 93.75 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 92.97 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 0.0108 1.28 1000

Water 5.09 4.32e+003 1000

Soil 82 8.64e+003 1000

Sediment 12.9 3.89e+004 0

Persistence Time: 5.27e+003 hr

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