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CAS Num: 068480-26-2

SMILES : O=C(OCC=CCCCCCCCCCC)C

CHEM : 2-Tridecen-1-ol, acetate

MOL FOR: C15 H28 O2

MOL WT : 240.39

------------------------------ 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) = 6.05

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

Boiling Pt (deg C): 301.05 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00158 (Modified Grain method)

VP (Pa, 25 deg C) : 0.21 (Modified Grain method)

Subcooled liquid VP: 0.00185 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.1816

log Kow used: 6.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.29103 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 4.62E-003 atm-m3/mole (4.68E+002 Pa-m3/mole)

Group Method: 4.25E-003 atm-m3/mole (4.31E+002 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: 2.752E-003 atm-m3/mole (2.788E+002 Pa-m3/mole)

VP: 0.00158 mm Hg (source: MPBPVP)

WS: 0.182 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.05 (KowWin est)

Log Kaw used: -0.724 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.774

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9157

Biowin2 (Non-Linear Model) : 0.9960

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1065 (weeks )

Biowin4 (Primary Survey Model) : 3.9989 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8481

Biowin6 (MITI Non-Linear Model): 0.9186

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6439

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): 0.247 Pa (0.00185 mm Hg)

Log Koa (Koawin est ): 6.774

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

Mackay model : 1.22E-005

Octanol/air (Koa) model: 1.46E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000439

Mackay model : 0.000972

Octanol/air (Koa) model: 0.000117

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 70.2928 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 77.8928 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.826 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.648 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.000706 (Junge-Pankow, Mackay avg)

0.000117 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4112 L/kg (MCI method)

Log Koc: 3.614 (MCI method)

Koc : 1.607E+004 L/kg (Kow method)

Log Koc: 4.206 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.467E-001 L/mol-sec

Kb Half-Life at pH 8: 23.141 days

Kb Half-Life at pH 7: 231.410 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.285 (BCF = 192.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0903 days (HL = 0.8122 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.443 (BCF = 277.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.459 (BAF = 287.9)

log Kow used: 6.05 (estimated)

Volatilization from Water:

Henry LC: 0.00425 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.796 hours

Half-Life from Model Lake : 149.6 hours (6.233 days)

Removal In Wastewater Treatment:

Total removal: 92.85 percent

Total biodegradation: 0.73 percent

Total sludge adsorption: 89.44 percent

Total to Air: 2.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.274 1.34 1000

Water 17.6 360 1000

Soil 79.9 720 1000

Sediment 2.14 3.24e+003 0

Persistence Time: 366 hr

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