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CAS Number: 10486121

SMILES : O=C(OCCC(CCCC(=C)C)C)c(cccc1)c1

CHEM : 7-Octen-1-ol, 3,7-dimethyl-, benzoate, (-)-

MOL FOR: C17 H24 O2

MOL WT : 260.38

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 6.09

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

Boiling Pt (deg C): 328.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000229 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0306 (Modified Grain method)

Subcooled liquid VP: 0.000427 mm Hg (25 deg C, Mod-Grain method)

: 0.0569 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 0.1292

log Kow used: 6.09 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.27957 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:


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

Bond Method : 3.91E-004 atm-m3/mole (3.96E+001 Pa-m3/mole)

Group Method: 1.54E-004 atm-m3/mole (1.56E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 6.072E-004 atm-m3/mole (6.153E+001 Pa-m3/mole)

VP: 0.000229 mm Hg (source: MPBPVP)

WS: 0.129 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.09 (KowWin est)

Log Kaw used: -1.796 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.886

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9259

Biowin2 (Non-Linear Model) : 0.9945

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7860 (weeks )

Biowin4 (Primary Survey Model) : 3.7059 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5319

Biowin6 (MITI Non-Linear Model): 0.5497

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4069

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.0569 Pa (0.000427 mm Hg)

Log Koa (Koawin est ): 7.886

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

Mackay model : 5.27E-005

Octanol/air (Koa) model: 1.89E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0019

Mackay model : 0.0042

Octanol/air (Koa) model: 0.00151

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 62.4947 E-12 cm3/molecule-sec

Half-Life = 0.171 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.054 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00305 (Junge-Pankow, Mackay avg)

0.00151 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.103E+004 L/kg (MCI method)

Log Koc: 4.043 (MCI method)

Koc : 1.691E+004 L/kg (Kow method)

Log Koc: 4.228 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.204E-002 L/mol-sec

Kb Half-Life at pH 8: 250.370 days

Kb Half-Life at pH 7: 6.855 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.688 (BCF = 4876 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1737 days (HL = 0.6704 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.352 (BCF = 224.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.365 (BAF = 231.5)

log Kow used: 6.09 (estimated)

Volatilization from Water:

Henry LC: 0.000154 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 7.781 hours

Half-Life from Model Lake : 220.2 hours (9.175 days)

Removal In Wastewater Treatment:

Total removal: 92.52 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.63 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.427 3.48 1000

Water 18.7 360 1000

Soil 75.1 720 1000

Sediment 5.78 3.24e+003 0

Persistence Time: 460 hr

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