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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

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