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CAS Number: 26184-88-3


CHEM : 2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3

-cyclohexen-1-yl)- (VAN9CI)

MOL FOR: C15 H26 O2

MOL WT : 238.37

------------------------------ EPI SUMMARY (v4.00) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.23

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

Boiling Pt (deg C): 310.89 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.68E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00224 (Modified Grain method)

Subcooled liquid VP: 6.69E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00893 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 21.49

log Kow used: 4.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 418.89 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.19E-008 atm-m3/mole (3.23E-003 Pa-m3/mole)

Group Method: 3.88E-009 atm-m3/mole (3.93E-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: 2.452E-007 atm-m3/mole (2.484E-002 Pa-m3/mole)

VP: 1.68E-005 mm Hg (source: MPBPVP)

WS: 21.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.23 (KowWin est)

Log Kaw used: -5.885 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.115

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0812

Biowin2 (Non-Linear Model) : 0.0007

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.2395 (months )

Biowin4 (Primary Survey Model) : 3.1872 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2710

Biowin6 (MITI Non-Linear Model): 0.0669

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.0026

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): 0.00892 Pa (6.69E-005 mm Hg)

Log Koa (Koawin est ): 10.115

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

Mackay model : 0.000336

Octanol/air (Koa) model: 0.0032

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.012

Mackay model : 0.0262

Octanol/air (Koa) model: 0.204

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 141.5463 E-12 cm3/molecule-sec

Half-Life = 0.076 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.907 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.378 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0191 (Junge-Pankow, Mackay avg)

0.204 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 303.6 L/kg (MCI method)

Log Koc: 2.482 (MCI method)

Koc : 579.2 L/kg (Kow method)

Log Koc: 2.763 (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 = 2.460 (BCF = 288.7 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1185 days (HL = 1.314 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.625 (BCF = 422.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.626 (BAF = 422.8)

log Kow used: 4.23 (estimated)

Volatilization from Water:

Henry LC: 3.19E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.834E+004 hours (1181 days)

Half-Life from Model Lake : 3.093E+005 hours (1.289E+004 days)

Removal In Wastewater Treatment:

Total removal: 41.52 percent

Total biodegradation: 0.41 percent

Total sludge adsorption: 41.11 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 0.0142 0.473 1000

Water 16.7 1.44e+003 1000

Soil 83 2.88e+003 1000

Sediment 0.309 1.3e+004 0

Persistence Time: 1.52e+003 hr

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