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CAS Number: 2144-41-4

SMILES : O1C(C)CCC1C

CHEM : cis-2,5-Dimethyltetrahydrofuran

MOL FOR: C6 H12 O1

MOL WT : 100.16

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 1.77

Log Kow (Exper. database match) = 1.22

Exper. Ref: FUNASAKI,N ET AL. (1985)

Log Kow (Exper. database match) = 1.34

Exper. Ref: FUNASAKI,N ET AL. (1985)

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

Boiling Pt (deg C): 104.17 (Adapted Stein & Brown method)

Melting Pt (deg C): -67.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 36.4 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.85E+003 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8378

log Kow used: 1.34 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1.18e+005 mg/L ( deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 14563 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 1.49E-004 atm-m3/mole (1.51E+001 Pa-m3/mole)

Group Method: 5.73E-004 atm-m3/mole (5.81E+001 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: 5.726E-004 atm-m3/mole (5.802E+001 Pa-m3/mole)

VP: 36.4 mm Hg (source: MPBPVP)

WS: 8.38E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.34 (exp database)

Log Kaw used: -2.215 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.555

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3525

Biowin2 (Non-Linear Model) : 0.1367

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9692 (weeks )

Biowin4 (Primary Survey Model) : 3.6935 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4808

Biowin6 (MITI Non-Linear Model): 0.4452

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2586

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): 4.6E+003 Pa (34.5 mm Hg)

Log Koa (Koawin est ): 3.555

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

Mackay model : 6.52E-010

Octanol/air (Koa) model: 8.81E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.36E-008

Mackay model : 5.22E-008

Octanol/air (Koa) model: 7.05E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.7747 E-12 cm3/molecule-sec

Half-Life = 0.515 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.178 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.79E-008 (Junge-Pankow, Mackay avg)

7.05E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 27.67 L/kg (MCI method)

Log Koc: 1.442 (MCI method)

Koc : 37.64 L/kg (Kow method)

Log Koc: 1.576 (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 = 0.551 (BCF = 3.557 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6974 days (HL = 0.2007 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.466 (BCF = 2.925)

Log BAF Arnot-Gobas method (upper trophic) = 0.466 (BAF = 2.925)

log Kow used: 1.34 (expkow database)

Volatilization from Water:

Henry LC: 0.000149 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.954 hours

Half-Life from Model Lake : 138 hours (5.748 days)

Removal In Wastewater Treatment:

Total removal: 8.71 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.73 percent

Total to Air: 6.89 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.91 12.4 1000

Water 34.9 360 1000

Soil 62.1 720 1000

Sediment 0.104 3.24e+003 0

Persistence Time: 282 hr

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