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CAS Num: 008023-94-7
SMILES : CC(C)(O)C=CC=C(C)C=C
CHEM : Oils, hyacinth
MOL FOR: C10 H16 O1
MOL WT : 152.24
------------------------------ 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) = 3.17
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 210.08 (Adapted Stein & Brown method)
Melting Pt (deg C): -12.17 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.04 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 5.33 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 474.5
log Kow used: 3.17 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1548.6 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Vinyl/Allyl Alcohols
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.47E-005 atm-m3/mole (2.50E+000 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: 1.689E-005 atm-m3/mole (1.711E+000 Pa-m3/mole)
VP: 0.04 mm Hg (source: MPBPVP)
WS: 475 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.17 (KowWin est)
Log Kaw used: -2.996 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.166
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4911
Biowin2 (Non-Linear Model) : 0.2939
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6506 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4747 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3652
Biowin6 (MITI Non-Linear Model): 0.2243
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1780
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): 4.83 Pa (0.0362 mm Hg)
Log Koa (Koawin est ): 6.166
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.22E-007
Octanol/air (Koa) model: 3.6E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.24E-005
Mackay model : 4.97E-005
Octanol/air (Koa) model: 2.88E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 185.1646 E-12 cm3/molecule-sec
Half-Life = 0.058 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 0.693 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 5.440000 E-17 cm3/molecule-sec
Half-Life = 0.211 Days (at 7E11 mol/cm3)
Half-Life = 5.056 Hrs
Fraction sorbed to airborne particulates (phi):
3.61E-005 (Junge-Pankow, Mackay avg)
2.88E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 73.23 L/kg (MCI method)
Log Koc: 1.865 (MCI method)
Koc : 185 L/kg (Kow method)
Log Koc: 2.267 (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 = 1.756 (BCF = 57.03 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0757 days (HL = 1.19 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.074 (BCF = 118.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.074 (BAF = 118.5)
log Kow used: 3.17 (estimated)
Volatilization from Water:
Henry LC: 2.47E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 30.51 hours (1.271 days)
Half-Life from Model Lake : 436.3 hours (18.18 days)
Removal In Wastewater Treatment:
Total removal: 8.63 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 7.23 percent
Total to Air: 1.26 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.0836 1.09 1000
Water 25.9 900 1000
Soil 73.9 1.8e+003 1000
Sediment 0.14 8.1e+003 0
Persistence Time: 779 hr