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CAS Number: 20235-17-0



MOL FOR: C17 H28 O4

MOL WT : 296.41

------------------------------ 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) = 2.50

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

Boiling Pt (deg C): 360.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 124.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.7E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 3.6E-005 (Modified Grain method)

Subcooled liquid VP: 2.65E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000353 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 305.3

log Kow used: 2.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 177.01 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.22E-011 atm-m3/mole (3.26E-006 Pa-m3/mole)

Group Method: 1.73E-012 atm-m3/mole (1.75E-007 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: 3.449E-010 atm-m3/mole (3.495E-005 Pa-m3/mole)

VP: 2.7E-007 mm Hg (source: MPBPVP)

WS: 305 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.50 (KowWin est)

Log Kaw used: -8.881 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.381

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2241

Biowin2 (Non-Linear Model) : 0.0532

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4114 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4619 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6078

Biowin6 (MITI Non-Linear Model): 0.1347

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3062

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): 0.000353 Pa (2.65E-006 mm Hg)

Log Koa (Koawin est ): 11.381

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

Mackay model : 0.00849

Octanol/air (Koa) model: 0.059

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.235

Mackay model : 0.404

Octanol/air (Koa) model: 0.825

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 46.4810 E-12 cm3/molecule-sec

Half-Life = 0.230 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.761 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.32 (Junge-Pankow, Mackay avg)

0.825 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 139 L/kg (MCI method)

Log Koc: 2.143 (MCI method)

Koc : 54.99 L/kg (Kow method)

Log Koc: 1.740 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.381E-002 L/mol-sec

Kb Half-Life at pH 8: 237.292 days

Kb Half-Life at pH 7: 6.497 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.317 (BCF = 20.74 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7333 days (HL = 0.1848 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.353 (BCF = 22.53)

Log BAF Arnot-Gobas method (upper trophic) = 1.353 (BAF = 22.53)

log Kow used: 2.50 (estimated)

Volatilization from Water:

Henry LC: 3.22E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.13E+007 hours (1.304E+006 days)

Half-Life from Model Lake : 3.415E+008 hours (1.423E+007 days)

Removal In Wastewater Treatment:

Total removal: 3.10 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.99 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 0.000356 5.52 1000

Water 15.8 900 1000

Soil 84.1 1.8e+003 1000

Sediment 0.136 8.1e+003 0

Persistence Time: 1.66e+003 hr

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