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CAS Num: 000115-99-1

SMILES : O=COC(C=C)(CCC=C(C)C)C

CHEM : 1,6-Octadien-3-ol, 3,7-dimethyl-, formate

MOL FOR: C11 H18 O2

MOL WT : 182.26

------------------------------ 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) = 3.84

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

Boiling Pt (deg C): 211.74 (Adapted Stein & Brown method)

Melting Pt (deg C): -4.57 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.2 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 26.6 (Mean VP of Antoine & Grain methods)

BP (exp database): 100-103 @ 10 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 28.25

log Kow used: 3.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 79.028 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.38E-003 atm-m3/mole (2.41E+002 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: 1.698E-003 atm-m3/mole (1.720E+002 Pa-m3/mole)

VP: 0.2 mm Hg (source: MPBPVP)

WS: 28.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.84 (KowWin est)

Log Kaw used: -1.012 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.852

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6510

Biowin2 (Non-Linear Model) : 0.9414

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7245 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6603 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7061

Biowin6 (MITI Non-Linear Model): 0.7577

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1929

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): 24.5 Pa (0.184 mm Hg)

Log Koa (Koawin est ): 4.852

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

Mackay model : 1.22E-007

Octanol/air (Koa) model: 1.75E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.42E-006

Mackay model : 9.78E-006

Octanol/air (Koa) model: 1.4E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 116.2011 E-12 cm3/molecule-sec

Half-Life = 0.092 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.105 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 43.174999 E-17 cm3/molecule-sec

Half-Life = 0.027 Days (at 7E11 mol/cm3)

Half-Life = 38.222 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

7.1E-006 (Junge-Pankow, Mackay avg)

1.4E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 282.1 L/kg (MCI method)

Log Koc: 2.450 (MCI method)

Koc : 962.8 L/kg (Kow method)

Log Koc: 2.984 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 5.656E+000 L/mol-sec

Kb Half-Life at pH 8: 1.418 days

Kb Half-Life at pH 7: 14.183 days

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.200 (BCF = 158.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7043 days (HL = 0.1975 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.878 (BCF = 75.51)

Log BAF Arnot-Gobas method (upper trophic) = 1.878 (BAF = 75.51)

log Kow used: 3.84 (estimated)

Volatilization from Water:

Henry LC: 0.00238 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.71 hours

Half-Life from Model Lake : 131.9 hours (5.494 days)

Removal In Wastewater Treatment:

Total removal: 57.82 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 18.50 percent

Total to Air: 39.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.203 0.494 1000

Water 31 900 1000

Soil 68.3 1.8e+003 1000

Sediment 0.495 8.1e+003 0

Persistence Time: 272 hr

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