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CAS Num: 007392-19-0
SMILES : O(C(C=C)(CCC1)C)C1(C)C
CHEM : 2H-Pyran, 2-ethenyltetrahydro-2,6,6-trimethyl-
MOL FOR: C10 H18 O1
MOL WT : 154.25
------------------------------ 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) = 3.52
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 170.89 (Adapted Stein & Brown method)
Melting Pt (deg C): -4.41 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.01 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 268 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 70.97
log Kow used: 3.52 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 572.2 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 : 3.44E-004 atm-m3/mole (3.49E+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: 5.748E-003 atm-m3/mole (5.824E+002 Pa-m3/mole)
VP: 2.01 mm Hg (source: MPBPVP)
WS: 71 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.52 (KowWin est)
Log Kaw used: -1.852 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.372
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0411
Biowin2 (Non-Linear Model) : 0.0023
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4254 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3086 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4689
Biowin6 (MITI Non-Linear Model): 0.4053
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.9090
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): 244 Pa (1.83 mm Hg)
Log Koa (Koawin est ): 5.372
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.23E-008
Octanol/air (Koa) model: 5.78E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.44E-007
Mackay model : 9.84E-007
Octanol/air (Koa) model: 4.62E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 37.1828 E-12 cm3/molecule-sec
Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.452 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
7.14E-007 (Junge-Pankow, Mackay avg)
4.62E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 209.7 L/kg (MCI method)
Log Koc: 2.322 (MCI method)
Koc : 604.7 L/kg (Kow method)
Log Koc: 2.782 (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 = 1.993 (BCF = 98.32 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1488 days (HL = 0.7099 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.209 (BCF = 161.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.209 (BAF = 161.8)
log Kow used: 3.52 (estimated)
Volatilization from Water:
Henry LC: 0.000344 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.381 hours
Half-Life from Model Lake : 141 hours (5.876 days)
Removal In Wastewater Treatment:
Total removal: 24.57 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 12.48 percent
Total to Air: 11.92 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.918 6.61 1000
Water 18.7 900 1000
Soil 80.2 1.8e+003 1000
Sediment 0.229 8.1e+003 0
Persistence Time: 591 hr