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CAS Number: 93882-22-5


CHEM : (Z)-2,2,8-trimethylnon-3-en-3-ol

MOL FOR: C12 H24 O1

MOL WT : 184.32

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.95

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

Boiling Pt (deg C): 259.12 (Adapted Stein & Brown method)

Melting Pt (deg C): 9.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0018 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.24 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 3.11

log Kow used: 4.95 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2.8994 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 : 6.72E-004 atm-m3/mole (6.81E+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: 1.404E-004 atm-m3/mole (1.422E+001 Pa-m3/mole)

VP: 0.0018 mm Hg (source: MPBPVP)

WS: 3.11 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.95 (KowWin est)

Log Kaw used: -1.561 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.511

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6346

Biowin2 (Non-Linear Model) : 0.4467

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7397 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5578 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4984

Biowin6 (MITI Non-Linear Model): 0.4805

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0754

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): 0.239 Pa (0.00179 mm Hg)

Log Koa (Koawin est ): 6.511

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

Mackay model : 1.26E-005

Octanol/air (Koa) model: 7.96E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000454

Mackay model : 0.001

Octanol/air (Koa) model: 6.37E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 94.2375 E-12 cm3/molecule-sec

Half-Life = 0.114 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.362 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):

0.000729 (Junge-Pankow, Mackay avg)

6.37E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 211.3 L/kg (MCI method)

Log Koc: 2.325 (MCI method)

Koc : 1785 L/kg (Kow method)

Log Koc: 3.252 (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 = 2.933 (BCF = 856.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3572 days (HL = 2.276 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.926 (BCF = 844.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.937 (BAF = 864.1)

log Kow used: 4.95 (estimated)

Volatilization from Water:

Henry LC: 0.000672 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.568 hours

Half-Life from Model Lake : 141.9 hours (5.911 days)

Removal In Wastewater Treatment:

Total removal: 78.26 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 72.66 percent

Total to Air: 4.98 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.523 2.45 1000

Water 21.5 900 1000

Soil 77.7 1.8e+003 1000

Sediment 0.264 8.1e+003 0

Persistence Time: 452 hr

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