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CAS Num: 000106-31-0

SMILES : O=C(OC(=O)CCC)CCC

CHEM : Butanoic acid, anhydride

MOL FOR: C8 H14 O3

MOL WT : 158.20

------------------------------ 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) = 1.39

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

Boiling Pt (deg C): 148.37 (Adapted Stein & Brown method)

Melting Pt (deg C): -44.60 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.361 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 48.1 (Mean VP of Antoine & Grain methods)

MP (exp database): -75 deg C

BP (exp database): 200 deg C

VP (exp database): 2.83E-01 mm Hg (3.77E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 4561

log Kow used: 1.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6446.2 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.11E-004 atm-m3/mole (1.12E+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: 1.648E-005 atm-m3/mole (1.669E+000 Pa-m3/mole)

VP: 0.361 mm Hg (source: MPBPVP)

WS: 4.56E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.39 (KowWin est)

Log Kaw used: -2.343 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.733

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6722

Biowin2 (Non-Linear Model) : 0.6818

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8496 (weeks )

Biowin4 (Primary Survey Model) : 3.6195 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4400

Biowin6 (MITI Non-Linear Model): 0.4293

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7809

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): 37.7 Pa (0.283 mm Hg)

Log Koa (Koawin est ): 3.733

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

Mackay model : 7.95E-008

Octanol/air (Koa) model: 1.33E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.87E-006

Mackay model : 6.36E-006

Octanol/air (Koa) model: 1.06E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.3445 E-12 cm3/molecule-sec

Half-Life = 3.198 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 38.377 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.62E-006 (Junge-Pankow, Mackay avg)

1.06E-007 (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 : 17.19 L/kg (Kow method)

Log Koc: 1.235 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.881E+003 L/mol-sec

Kb Half-Life at pH 8: 1.679 minutes

Kb Half-Life at pH 7: 16.789 minutes

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.582 (BCF = 3.821 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9295 days (HL = 0.1176 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.471 (BCF = 2.955)

Log BAF Arnot-Gobas method (upper trophic) = 0.471 (BAF = 2.955)

log Kow used: 1.39 (estimated)

Volatilization from Water:

Henry LC: 0.000111 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 7.918 hours

Half-Life from Model Lake : 191.8 hours (7.993 days)

Removal In Wastewater Treatment:

Total removal: 7.21 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.77 percent

Total to Air: 5.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 10.1 76.8 1000

Water 39.2 360 1000

Soil 50.6 720 1000

Sediment 0.0884 3.24e+003 0

Persistence Time: 281 hr

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