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CAS Num: 040785-62-4
SMILES : O1CC(CCCCCCCCCC2)=C2C1
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