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CAS Number: 1422-27-1

SMILES : CC(CCCCCCCC(=O)O)O

CHEM :

MOL FOR: C10 H20 O3

MOL WT : 188.27

------------------------------ 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) = 2.48

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

Boiling Pt (deg C): 320.09 (Adapted Stein & Brown method)

Melting Pt (deg C): 94.07 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 7.93E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00106 (Modified Grain method)

Subcooled liquid VP: 3.69E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00492 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3087

log Kow used: 2.48 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4978.4 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics-acid

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

Bond Method : 1.93E-010 atm-m3/mole (1.96E-005 Pa-m3/mole)

Group Method: 8.88E-011 atm-m3/mole (9.00E-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: 6.364E-010 atm-m3/mole (6.448E-005 Pa-m3/mole)

VP: 7.93E-006 mm Hg (source: MPBPVP)

WS: 3.09E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.48 (KowWin est)

Log Kaw used: -8.103 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.583

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8893

Biowin2 (Non-Linear Model) : 0.8905

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.3077 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0911 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7900

Biowin6 (MITI Non-Linear Model): 0.8962

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0921

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): 0.00492 Pa (3.69E-005 mm Hg)

Log Koa (Koawin est ): 10.583

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

Mackay model : 0.00061

Octanol/air (Koa) model: 0.0094

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0215

Mackay model : 0.0465

Octanol/air (Koa) model: 0.429

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.5189 E-12 cm3/molecule-sec

Half-Life = 0.578 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.931 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.034 (Junge-Pankow, Mackay avg)

0.429 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 13.06 L/kg (Kow method)

Log Koc: 1.116 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7165 days (HL = 0.1921 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.342 (BCF = 21.99)

Log BAF Arnot-Gobas method (upper trophic) = 1.342 (BAF = 21.99)

log Kow used: 2.48 (estimated)

Volatilization from Water:

Henry LC: 8.88E-011 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 9.047E+006 hours (3.769E+005 days)

Half-Life from Model Lake : 9.869E+007 hours (4.112E+006 days)

Removal In Wastewater Treatment:

Total removal: 3.04 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.94 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 0.00299 13.9 1000

Water 28.1 208 1000

Soil 71.8 416 1000

Sediment 0.0592 1.87e+003 0

Persistence Time: 414 hr

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