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CAS Number: 453-20-3

SMILES : O(CC(O)C1)C1

CHEM : 3-Furanol, tetrahydro-

MOL FOR: C4 H8 O2

MOL WT : 88.11

------------------------------ 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) = -0.60

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

Boiling Pt (deg C): 143.69 (Adapted Stein & Brown method)

Melting Pt (deg C): -34.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.228 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 30.4 (Mean VP of Antoine & Grain methods)

BP (exp database): 181 deg C

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

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.60 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.08E-009 atm-m3/mole (3.12E-004 Pa-m3/mole)

Group Method: 1.99E-009 atm-m3/mole (2.01E-004 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: 2.643E-008 atm-m3/mole (2.678E-003 Pa-m3/mole)

VP: 0.228 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.60 (KowWin est)

Log Kaw used: -6.900 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.300

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5170

Biowin2 (Non-Linear Model) : 0.3649

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1558 (weeks )

Biowin4 (Primary Survey Model) : 3.8403 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6843

Biowin6 (MITI Non-Linear Model): 0.8114

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3910

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): 27.1 Pa (0.203 mm Hg)

Log Koa (Koawin est ): 6.300

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

Mackay model : 1.11E-007

Octanol/air (Koa) model: 4.9E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4E-006

Mackay model : 8.87E-006

Octanol/air (Koa) model: 3.92E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.2578 E-12 cm3/molecule-sec

Half-Life = 0.586 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.030 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.44E-006 (Junge-Pankow, Mackay avg)

3.92E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 1.234 L/kg (Kow method)

Log Koc: 0.091 (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) = -1.7313 days (HL = 0.01856 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.044 (BCF = 0.9044)

Log BAF Arnot-Gobas method (upper trophic) = -0.044 (BAF = 0.9044)

log Kow used: -0.60 (estimated)

Volatilization from Water:

Henry LC: 3.08E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.784E+005 hours (7435 days)

Half-Life from Model Lake : 1.947E+006 hours (8.111E+004 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0687 14.1 1000

Water 38.1 360 1000

Soil 61.8 720 1000

Sediment 0.0713 3.24e+003 0

Persistence Time: 571 hr

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