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CAS Number: 141947-40-2

SMILES : CCCCCCCC1C(O1)CC#CC=CC(C=C)O

CHEM :

MOL FOR: C17 H26 O2

MOL WT : 262.40

------------------------------ 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) = 4.57

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

Boiling Pt (deg C): 356.77 (Adapted Stein & Brown method)

Melting Pt (deg C): 119.38 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.87E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 5.16E-005 (Modified Grain method)

Subcooled liquid VP: 3.34E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000445 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 8.181

log Kow used: 4.57 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.489 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Epoxides, mono

Vinyl/Allyl Alcohols

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

Bond Method : 1.53E-008 atm-m3/mole (1.55E-003 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: 1.633E-008 atm-m3/mole (1.655E-003 Pa-m3/mole)

VP: 3.87E-007 mm Hg (source: MPBPVP)

WS: 8.18 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.57 (KowWin est)

Log Kaw used: -6.204 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.774

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5424

Biowin2 (Non-Linear Model) : 0.2341

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0690 (weeks )

Biowin4 (Primary Survey Model) : 3.8579 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4456

Biowin6 (MITI Non-Linear Model): 0.2071

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0417

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): 0.000445 Pa (3.34E-006 mm Hg)

Log Koa (Koawin est ): 10.774

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

Mackay model : 0.00674

Octanol/air (Koa) model: 0.0146

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.196

Mackay model : 0.35

Octanol/air (Koa) model: 0.539

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 139.7463 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 149.6263 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 0.918 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 0.858 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.771750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 2.340500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 15.524 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 11.751 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.273 (Junge-Pankow, Mackay avg)

0.539 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1758 L/kg (MCI method)

Log Koc: 3.245 (MCI method)

Koc : 893 L/kg (Kow method)

Log Koc: 2.951 (Kow method)

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

Total Ka (acid-catalyzed) at 25 deg C : 2.154E-003 L/mol-sec

Ka Half-Life at pH 7: 101.968 years

(Total Ka applies to epoxide(s) only)

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.682 (BCF = 480.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1137 days (HL = 0.7696 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.476 (BCF = 299.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.476 (BAF = 299.5)

log Kow used: 4.57 (estimated)

Volatilization from Water:

Henry LC: 1.53E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 6.199E+004 hours (2583 days)

Half-Life from Model Lake : 6.764E+005 hours (2.818E+004 days)

Removal In Wastewater Treatment:

Total removal: 59.66 percent

Total biodegradation: 0.55 percent

Total sludge adsorption: 59.11 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.108 1.64 1000

Water 21.6 360 1000

Soil 77.1 720 1000

Sediment 1.25 3.24e+003 0

Persistence Time: 542 hr

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