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CAS Num: 018479-54-4

SMILES : OC(C=CC=C(C)C)(CC)C

CHEM : 4,6-Octadien-3-ol, 3,7-dimethyl-

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) = 3.30

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

Boiling Pt (deg C): 211.53 (Adapted Stein & Brown method)

Melting Pt (deg C): -10.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0366 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 4.88 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 355.4

log Kow used: 3.30 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1516.5 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 : 4.07E-005 atm-m3/mole (4.12E+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: 2.090E-005 atm-m3/mole (2.118E+000 Pa-m3/mole)

VP: 0.0366 mm Hg (source: MPBPVP)

WS: 355 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.30 (KowWin est)

Log Kaw used: -2.779 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.079

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4902

Biowin2 (Non-Linear Model) : 0.2880

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6462 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4717 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3905

Biowin6 (MITI Non-Linear Model): 0.2818

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0110

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): 4.43 Pa (0.0332 mm Hg)

Log Koa (Koawin est ): 6.079

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

Mackay model : 6.78E-007

Octanol/air (Koa) model: 2.94E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.45E-005

Mackay model : 5.42E-005

Octanol/air (Koa) model: 2.36E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 194.6453 E-12 cm3/molecule-sec

Half-Life = 0.055 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.659 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 34.222500 E-17 cm3/molecule-sec

Half-Life = 0.033 Days (at 7E11 mol/cm3)

Half-Life = 48.221 Min

Fraction sorbed to airborne particulates (phi):

3.93E-005 (Junge-Pankow, Mackay avg)

2.36E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 75.25 L/kg (MCI method)

Log Koc: 1.876 (MCI method)

Koc : 218.3 L/kg (Kow method)

Log Koc: 2.339 (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 = 1.846 (BCF = 70.17 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0852 days (HL = 1.217 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.176 (BCF = 150)

Log BAF Arnot-Gobas method (upper trophic) = 2.176 (BAF = 150)

log Kow used: 3.30 (estimated)

Volatilization from Water:

Henry LC: 4.07E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 19.13 hours

Half-Life from Model Lake : 312.9 hours (13.04 days)

Removal In Wastewater Treatment:

Total removal: 11.10 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 8.97 percent

Total to Air: 1.99 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0442 0.499 1000

Water 25.4 900 1000

Soil 74.4 1.8e+003 1000

Sediment 0.14 8.1e+003 0

Persistence Time: 739 hr

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