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CAS Number: 288393-04-4
SMILES : CC(C)C1CC2C(O2)(C=C1)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) = 3.22
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 173.38 (Adapted Stein & Brown method)
Melting Pt (deg C): -9.39 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.79 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 239 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 130.8
log Kow used: 3.22 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 330.8 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Epoxides, mono
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.50E-004 atm-m3/mole (4.56E+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: 2.741E-003 atm-m3/mole (2.778E+002 Pa-m3/mole)
VP: 1.79 mm Hg (source: MPBPVP)
WS: 131 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.22 (KowWin est)
Log Kaw used: -1.735 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.955
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.1438
Biowin2 (Non-Linear Model) : 0.0133
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6420 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4649 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3359
Biowin6 (MITI Non-Linear Model): 0.1702
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3481
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): 219 Pa (1.64 mm Hg)
Log Koa (Koawin est ): 4.955
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.37E-008
Octanol/air (Koa) model: 2.21E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.96E-007
Mackay model : 1.1E-006
Octanol/air (Koa) model: 1.77E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 61.8331 E-12 cm3/molecule-sec
Half-Life = 0.173 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.076 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec
Half-Life = 1.007 Days (at 7E11 mol/cm3)
Half-Life = 24.179 Hrs
Fraction sorbed to airborne particulates (phi):
7.97E-007 (Junge-Pankow, Mackay avg)
1.77E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 248.7 L/kg (MCI method)
Log Koc: 2.396 (MCI method)
Koc : 412.6 L/kg (Kow method)
Log Koc: 2.616 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Ka (acid-catalyzed) at 25 deg C : 3.393E+007 L/mol-sec [cis-isomer]
Total Ka (acid-catalyzed) at 25 deg C : 7.954E+006 L/mol-sec [trans-isomer]
Ka Half-Life at pH 7: 0.204 seconds [cis-isomer]
Ka Half-Life at pH 7: 0.871 seconds [trans-isomer]
(Total Ka applies to epoxide(s) only)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.794 (BCF = 62.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2528 days (HL = 1.79 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.158 (BCF = 143.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.158 (BAF = 143.9)
log Kow used: 3.22 (estimated)
Volatilization from Water:
Henry LC: 0.00045 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.864 hours
Half-Life from Model Lake : 134.7 hours (5.613 days)
Removal In Wastewater Treatment:
Total removal: 22.97 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 7.25 percent
Total to Air: 15.60 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.547 3.54 1000
Water 18.3 900 1000
Soil 80.9 1.8e+003 1000
Sediment 0.261 8.1e+003 0
Persistence Time: 568 hr