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CAS Number: 78053-99-3


CHEM : 5-pentyltetrahydro-2-furanol

MOL FOR: C9 H18 O2

MOL WT : 158.24

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

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 v1.67 estimate) = 1.78

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

Boiling Pt (deg C): 238.81 (Adapted Stein & Brown method)

Melting Pt (deg C): 18.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00666 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.889 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 6804

log Kow used: 1.78 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13687 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.27E-008 atm-m3/mole (1.29E-003 Pa-m3/mole)

Group Method: 5.73E-007 atm-m3/mole (5.81E-002 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: 2.038E-007 atm-m3/mole (2.065E-002 Pa-m3/mole)

VP: 0.00666 mm Hg (source: MPBPVP)

WS: 6.8E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.78 (KowWin est)

Log Kaw used: -6.285 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.065

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5920

Biowin2 (Non-Linear Model) : 0.5729

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2991 (days-weeks )

Biowin4 (Primary Survey Model) : 4.0082 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6664

Biowin6 (MITI Non-Linear Model): 0.6912

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2571

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): 0.841 Pa (0.00631 mm Hg)

Log Koa (Koawin est ): 8.065

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

Mackay model : 3.57E-006

Octanol/air (Koa) model: 2.85E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000129

Mackay model : 0.000285

Octanol/air (Koa) model: 0.00228

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.5673 E-12 cm3/molecule-sec

Half-Life = 0.207 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.489 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000207 (Junge-Pankow, Mackay avg)

0.00228 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 15.37 L/kg (MCI method)

Log Koc: 1.187 (MCI method)

Koc : 25.56 L/kg (Kow method)

Log Koc: 1.408 (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 = 0.842 (BCF = 6.947 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8867 days (HL = 0.1298 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.765 (BCF = 5.823)

Log BAF Arnot-Gobas method (upper trophic) = 0.765 (BAF = 5.823)

log Kow used: 1.78 (estimated)

Volatilization from Water:

Henry LC: 1.27E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 5.799E+004 hours (2416 days)

Half-Life from Model Lake : 6.328E+005 hours (2.636E+004 days)

Removal In Wastewater Treatment:

Total removal: 2.09 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.99 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 0.279 4.98 1000

Water 29.3 208 1000

Soil 70.3 416 1000

Sediment 0.0675 1.87e+003 0

Persistence Time: 350 hr

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