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CAS Num: 040785-62-4


CHEM : Cyclododeca[c]furan, 1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydro-

MOL FOR: C14 H24 O1

MOL WT : 208.35

------------------------------ 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) = 5.29

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

Boiling Pt (deg C): 292.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 48.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00324 (Modified Grain method)

VP (Pa, 25 deg C) : 0.432 (Modified Grain method)

Subcooled liquid VP: 0.00529 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.202

log Kow used: 5.29 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 139.11 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 6.15E-003 atm-m3/mole (6.24E+002 Pa-m3/mole)

Group Method: 8.29E-004 atm-m3/mole (8.40E+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: 7.390E-004 atm-m3/mole (7.488E+001 Pa-m3/mole)

VP: 0.00324 mm Hg (source: MPBPVP)

WS: 1.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.29 (KowWin est)

Log Kaw used: -0.600 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.890

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3010

Biowin2 (Non-Linear Model) : 0.0330

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7301 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5374 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3305

Biowin6 (MITI Non-Linear Model): 0.3191

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8613

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): 0.705 Pa (0.00529 mm Hg)

Log Koa (Koawin est ): 5.890

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

Mackay model : 4.25E-006

Octanol/air (Koa) model: 1.91E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000154

Mackay model : 0.00034

Octanol/air (Koa) model: 1.52E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 130.8947 E-12 cm3/molecule-sec

Half-Life = 0.082 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.981 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 120.000000 E-17 cm3/molecule-sec

Half-Life = 0.010 Days (at 7E11 mol/cm3)

Half-Life = 13.752 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000247 (Junge-Pankow, Mackay avg)

1.52E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4173 L/kg (MCI method)

Log Koc: 3.620 (MCI method)

Koc : 5762 L/kg (Kow method)

Log Koc: 3.761 (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 = 3.158 (BCF = 1438 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3341 days (HL = 21.58 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.711 (BCF = 5137)

Log BAF Arnot-Gobas method (upper trophic) = 4.242 (BAF = 1.746e+004)

log Kow used: 5.29 (estimated)

Volatilization from Water:

Henry LC: 0.000829 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.492 hours

Half-Life from Model Lake : 148.2 hours (6.176 days)

Removal In Wastewater Treatment:

Total removal: 85.97 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 82.17 percent

Total to Air: 3.11 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0174 0.205 1000

Water 10.1 900 1000

Soil 87.5 1.8e+003 1000

Sediment 2.39 8.1e+003 0

Persistence Time: 903 hr

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