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CAS Num: 000637-64-9

SMILES : O=C(OCC(OCC1)C1)C

CHEM : 2-Furanmethanol, tetrahydro-, acetate

MOL FOR: C7 H12 O3

MOL WT : 144.17

------------------------------ 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) = 0.89

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

Boiling Pt (deg C): 183.11 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.511 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 68.1 (Mean VP of Antoine & Grain methods)

BP (exp database): 193 deg C

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

Water Solubility at 25 deg C (mg/L): 1.384e+004

log Kow used: 0.89 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 75705 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 2.67E-007 atm-m3/mole (2.70E-002 Pa-m3/mole)

Group Method: 9.09E-008 atm-m3/mole (9.21E-003 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: 7.004E-006 atm-m3/mole (7.097E-001 Pa-m3/mole)

VP: 0.511 mm Hg (source: MPBPVP)

WS: 1.38E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.89 (KowWin est)

Log Kaw used: -4.962 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.852

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5057

Biowin2 (Non-Linear Model) : 0.8336

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0121 (weeks )

Biowin4 (Primary Survey Model) : 3.8590 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7499

Biowin6 (MITI Non-Linear Model): 0.8496

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3765

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): 62.1 Pa (0.466 mm Hg)

Log Koa (Koawin est ): 5.852

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

Mackay model : 4.83E-008

Octanol/air (Koa) model: 1.75E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.74E-006

Mackay model : 3.86E-006

Octanol/air (Koa) model: 1.4E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.3013 E-12 cm3/molecule-sec

Half-Life = 0.502 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.026 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.8E-006 (Junge-Pankow, Mackay avg)

1.4E-005 (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 : 18.25 L/kg (Kow method)

Log Koc: 1.261 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec

Kb Half-Life at pH 8: 30.478 days

Kb Half-Life at pH 7: 304.777 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.8448 days (HL = 0.01429 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.073 (BCF = 1.184)

Log BAF Arnot-Gobas method (upper trophic) = 0.073 (BAF = 1.184)

log Kow used: 0.89 (estimated)

Volatilization from Water:

Henry LC: 2.67E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2634 hours (109.8 days)

Half-Life from Model Lake : 2.884E+004 hours (1202 days)

Removal In Wastewater Treatment:

Total removal: 1.89 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.79 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.11 12.1 1000

Water 38 360 1000

Soil 60.8 720 1000

Sediment 0.0856 3.24e+003 0

Persistence Time: 409 hr

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