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CAS Number: 92343-93-6
SMILES : CC1CC(OC1)C=CC(=C)C
CHEM :
MOL FOR: C10 H16 O1
MOL WT : 152.24
------------------------------ 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) = 3.44
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 191.61 (Adapted Stein & Brown method)
Melting Pt (deg C): -30.03 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.769 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 103 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 85.4
log Kow used: 3.44 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 592.1 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.91E-004 atm-m3/mole (2.95E+001 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.804E-003 atm-m3/mole (1.828E+002 Pa-m3/mole)
VP: 0.769 mm Hg (source: MPBPVP)
WS: 85.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.44 (KowWin est)
Log Kaw used: -1.925 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.365
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3277
Biowin2 (Non-Linear Model) : 0.0703
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8541 (weeks )
Biowin4 (Primary Survey Model) : 3.6184 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3506
Biowin6 (MITI Non-Linear Model): 0.1667
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0355
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): 93.9 Pa (0.704 mm Hg)
Log Koa (Koawin est ): 5.365
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.2E-008
Octanol/air (Koa) model: 5.69E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.15E-006
Mackay model : 2.56E-006
Octanol/air (Koa) model: 4.55E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 162.3534 E-12 cm3/molecule-sec
Half-Life = 0.066 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.791 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 18.000000 E-17 cm3/molecule-sec
Half-Life = 0.064 Days (at 7E11 mol/cm3)
Half-Life = 1.528 Hrs
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi):
1.86E-006 (Junge-Pankow, Mackay avg)
4.55E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 268.7 L/kg (MCI method)
Log Koc: 2.429 (MCI method)
Koc : 546.1 L/kg (Kow method)
Log Koc: 2.737 (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 = 1.938 (BCF = 86.6 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2102 days (HL = 1.623 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.311 (BCF = 204.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.311 (BAF = 204.6)
log Kow used: 3.44 (estimated)
Volatilization from Water:
Henry LC: 0.000291 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.742 hours
Half-Life from Model Lake : 144.3 hours (6.011 days)
Removal In Wastewater Treatment:
Total removal: 21.74 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 10.91 percent
Total to Air: 10.67 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.151 0.777 1000
Water 22.1 360 1000
Soil 77.5 720 1000
Sediment 0.264 3.24e+003 0
Persistence Time: 364 hr