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CAS Number: 236391-76-7



MOL FOR: C15 H26 O4

MOL WT : 270.37

------------------------------ 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) = 4.45

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

Boiling Pt (deg C): 294.03 (Adapted Stein & Brown method)

Melting Pt (deg C): 5.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00268 (Modified Grain method)

VP (Pa, 25 deg C) : 0.357 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 2.856

log Kow used: 4.45 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 32.796 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 2.22E-005 atm-m3/mole (2.24E+000 Pa-m3/mole)

Group Method: 6.74E-006 atm-m3/mole (6.83E-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: 3.338E-004 atm-m3/mole (3.383E+001 Pa-m3/mole)

VP: 0.00268 mm Hg (source: MPBPVP)

WS: 2.86 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.45 (KowWin est)

Log Kaw used: -3.042 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.492

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7833

Biowin2 (Non-Linear Model) : 0.9963

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6700 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7621 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8040

Biowin6 (MITI Non-Linear Model): 0.8409

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0272

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): 0.357 Pa (0.00268 mm Hg)

Log Koa (Koawin est ): 7.492

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

Mackay model : 8.4E-006

Octanol/air (Koa) model: 7.62E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000303

Mackay model : 0.000671

Octanol/air (Koa) model: 0.000609

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.5021 E-12 cm3/molecule-sec

Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.851 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000487 (Junge-Pankow, Mackay avg)

0.000609 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 410 L/kg (MCI method)

Log Koc: 2.613 (MCI method)

Koc : 1800 L/kg (Kow method)

Log Koc: 3.255 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 1.621E+001 L/mol-sec

Kb Half-Life at pH 8: 11.878 hours

Kb Half-Life at pH 7: 4.949 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.606 (BCF = 403.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4457 days (HL = 0.03583 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.204 (BCF = 16)

Log BAF Arnot-Gobas method (upper trophic) = 1.204 (BAF = 16)

log Kow used: 4.45 (estimated)

Volatilization from Water:

Henry LC: 2.22E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 45.04 hours (1.877 days)

Half-Life from Model Lake : 629.3 hours (26.22 days)

Removal In Wastewater Treatment:

Total removal: 53.73 percent

Total biodegradation: 0.50 percent

Total sludge adsorption: 52.69 percent

Total to Air: 0.54 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.782 17.7 1000

Water 18.3 900 1000

Soil 80.5 1.8e+003 1000

Sediment 0.417 8.1e+003 0

Persistence Time: 981 hr

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