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CAS Number: 506-03-6



MOL FOR: C19 H40 O3

MOL WT : 316.53

------------------------------ 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) = 6.22

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

Boiling Pt (deg C): 411.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 142.97 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.55E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 2.07E-006 (Modified Grain method)

MP (exp database): 64 deg C

Subcooled liquid VP: 3.59E-008 mm Hg (25 deg C, Mod-Grain method)

: 4.78E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.04798

log Kow used: 6.22 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.7684 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.42E-007 atm-m3/mole (1.44E-002 Pa-m3/mole)

Group Method: 3.54E-011 atm-m3/mole (3.58E-006 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: 1.345E-007 atm-m3/mole (1.363E-002 Pa-m3/mole)

VP: 1.55E-008 mm Hg (source: MPBPVP)

WS: 0.048 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.22 (KowWin est)

Log Kaw used: -5.236 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.456

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6754

Biowin2 (Non-Linear Model) : 0.3024

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1093 (weeks )

Biowin4 (Primary Survey Model) : 3.9093 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8840

Biowin6 (MITI Non-Linear Model): 0.9248

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7230

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): 4.79E-006 Pa (3.59E-008 mm Hg)

Log Koa (Koawin est ): 11.456

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

Mackay model : 0.627

Octanol/air (Koa) model: 0.0701

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.958

Mackay model : 0.98

Octanol/air (Koa) model: 0.849

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 50.8826 E-12 cm3/molecule-sec

Half-Life = 0.210 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.523 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.969 (Junge-Pankow, Mackay avg)

0.849 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 532.9 L/kg (MCI method)

Log Koc: 2.727 (MCI method)

Koc : 2832 L/kg (Kow method)

Log Koc: 3.452 (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 = 2.396 (BCF = 248.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0846 days (HL = 0.8231 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.411 (BCF = 257.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.435 (BAF = 272.4)

log Kow used: 6.22 (estimated)

Volatilization from Water:

Henry LC: 1.42E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7337 hours (305.7 days)

Half-Life from Model Lake : 8.019E+004 hours (3341 days)

Removal In Wastewater Treatment:

Total removal: 92.90 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.12 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 0.375 5.04 1000

Water 23.2 360 1000

Soil 76 720 1000

Sediment 0.444 3.24e+003 0

Persistence Time: 509 hr

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