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CAS Num: 000097-99-4


CHEM : 2-Furanmethanol, tetrahydro-

MOL FOR: C5 H10 O2

MOL WT : 102.13

------------------------------ 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) = -0.11

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

Boiling Pt (deg C): 172.44 (Adapted Stein & Brown method)

Melting Pt (deg C): -20.87 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.272 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 36.3 (Mean VP of Antoine & Grain methods)

MP (exp database): <-80 deg C

BP (exp database): 178 deg C

VP (exp database): 8.01E-01 mm Hg (1.07E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 4.634e+005

log Kow used: -0.11 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

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 : 4.09E-009 atm-m3/mole (4.15E-004 Pa-m3/mole)

Group Method: 2.81E-009 atm-m3/mole (2.85E-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: 7.888E-008 atm-m3/mole (7.992E-003 Pa-m3/mole)

VP: 0.272 mm Hg (source: MPBPVP)

WS: 4.63E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.11 (KowWin est)

Log Kaw used: -6.777 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.667

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5103

Biowin2 (Non-Linear Model) : 0.3201

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1248 (weeks )

Biowin4 (Primary Survey Model) : 3.8201 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6919

Biowin6 (MITI Non-Linear Model): 0.8151

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4170

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): 107 Pa (0.801 mm Hg)

Log Koa (Koawin est ): 6.667

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

Mackay model : 2.81E-008

Octanol/air (Koa) model: 1.14E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.01E-006

Mackay model : 2.25E-006

Octanol/air (Koa) model: 9.12E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.5819 E-12 cm3/molecule-sec

Half-Life = 0.454 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.443 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.63E-006 (Junge-Pankow, Mackay avg)

9.12E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.582 L/kg (MCI method)

Log Koc: 0.199 (MCI method)

Koc : 2.303 L/kg (Kow method)

Log Koc: 0.362 (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 v3.00):

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

Log Biotransformation Half-life (HL) = -1.5922 days (HL = 0.02558 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.029 (BCF = 0.9348)

Log BAF Arnot-Gobas method (upper trophic) = -0.029 (BAF = 0.9348)

log Kow used: -0.11 (estimated)

Volatilization from Water:

Henry LC: 4.09E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.447E+005 hours (6028 days)

Half-Life from Model Lake : 1.578E+006 hours (6.576E+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 0.0881 10.9 1000

Water 37.6 360 1000

Soil 62.2 720 1000

Sediment 0.0714 3.24e+003 0

Persistence Time: 567 hr

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