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CAS Num: 051595-91-6


CHEM : 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

MOL FOR: C14 H24 O1

MOL WT : 208.35

------------------------------ 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) = 5.19

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 288.56 (Adapted Stein & Brown method)

Melting Pt (deg C): 56.53 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000143 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0191 (Modified Grain method)

Subcooled liquid VP: 0.00028 mm Hg (25 deg C, Mod-Grain method)

: 0.0374 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 4.706

log Kow used: 5.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 101.41 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 : 4.90E-005 atm-m3/mole (4.96E+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: 8.330E-006 atm-m3/mole (8.441E-001 Pa-m3/mole)

VP: 0.000143 mm Hg (source: MPBPVP)

WS: 4.71 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 5.19 (KowWin est)

Log Kaw used: -2.698 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.888

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6232

Biowin2 (Non-Linear Model) : 0.3647

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6866 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5232 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3378

Biowin6 (MITI Non-Linear Model): 0.2058

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3627

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): 0.0373 Pa (0.00028 mm Hg)

Log Koa (Koawin est ): 7.888

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 8.04E-005

Octanol/air (Koa) model: 1.9E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00289

Mackay model : 0.00639

Octanol/air (Koa) model: 0.00152

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 296.6788 E-12 cm3/molecule-sec

Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 25.958 Min

Ozone Reaction:

OVERALL Ozone Rate Constant = 1445.900635 E-17 cm3/molecule-sec

Half-Life = 0.001 Days (at 7E11 mol/cm3)

Half-Life = 1.141 Min

Fraction sorbed to airborne particulates (phi):

0.00464 (Junge-Pankow, Mackay avg)

0.00152 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 706.6 L/kg (MCI method)

Log Koc: 2.849 (MCI method)

Koc : 2423 L/kg (Kow method)

Log Koc: 3.384 (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 = 3.094 (BCF = 1241 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5868 days (HL = 3.862 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.143 (BCF = 1391)

Log BAF Arnot-Gobas method (upper trophic) = 3.189 (BAF = 1545)

log Kow used: 5.19 (estimated)

Volatilization from Water:

Henry LC: 4.9E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 18.72 hours

Half-Life from Model Lake : 325.2 hours (13.55 days)

Removal In Wastewater Treatment:

Total removal: 82.99 percent

Total biodegradation: 0.71 percent

Total sludge adsorption: 81.96 percent

Total to Air: 0.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00114 0.0186 1000

Water 16.3 900 1000

Soil 83.1 1.8e+003 1000

Sediment 0.63 8.1e+003 0

Persistence Time: 969 hr

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