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CAS Num: 024317-95-1



MOL FOR: C14 H26 O3

MOL WT : 242.36

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 3.65

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

Boiling Pt (deg C): 301.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 57.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000901 (Modified Grain method)

VP (Pa, 25 deg C) : 0.12 (Modified Grain method)

Subcooled liquid VP: 0.00179 mm Hg (25 deg C, Mod-Grain method)

: 0.238 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 19.83

log Kow used: 3.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 30.034 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.51E-006 atm-m3/mole (1.53E-001 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: 1.449E-005 atm-m3/mole (1.468E+000 Pa-m3/mole)

VP: 0.000901 mm Hg (source: MPBPVP)

WS: 19.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.65 (KowWin est)

Log Kaw used: -4.209 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.859

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9216

Biowin2 (Non-Linear Model) : 0.9936

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0797 (weeks )

Biowin4 (Primary Survey Model) : 3.9739 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7985

Biowin6 (MITI Non-Linear Model): 0.9005

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1017

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): 0.239 Pa (0.00179 mm Hg)

Log Koa (Koawin est ): 7.859

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

Mackay model : 1.26E-005

Octanol/air (Koa) model: 1.77E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000454

Mackay model : 0.001

Octanol/air (Koa) model: 0.00142

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.1802 E-12 cm3/molecule-sec

Half-Life = 0.705 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.455 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000729 (Junge-Pankow, Mackay avg)

0.00142 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 258 L/kg (MCI method)

Log Koc: 2.412 (MCI method)

Koc : 1186 L/kg (Kow method)

Log Koc: 3.074 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.371E-002 L/mol-sec

Kb Half-Life at pH 8: 183.520 days

Kb Half-Life at pH 7: 5.024 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.077 (BCF = 119.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2050 days (HL = 0.06237 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.409 (BCF = 25.62)

Log BAF Arnot-Gobas method (upper trophic) = 1.409 (BAF = 25.62)

log Kow used: 3.65 (estimated)

Volatilization from Water:

Henry LC: 1.51E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 605.2 hours (25.22 days)

Half-Life from Model Lake : 6733 hours (280.5 days)

Removal In Wastewater Treatment:

Total removal: 16.98 percent

Total biodegradation: 0.21 percent

Total sludge adsorption: 16.70 percent

Total to Air: 0.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.36 16.9 1000

Water 25.5 360 1000

Soil 72.9 720 1000

Sediment 0.295 3.24e+003 0

Persistence Time: 467 hr

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