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CAS Number: 2156-96-9

SMILES : O=C(OCCCCCCCCCC)C=C

CHEM : 2-Propenoic acid, decyl ester

MOL FOR: C13 H24 O2

MOL WT : 212.34

------------------------------ 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) = 5.15

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

Boiling Pt (deg C): 263.64 (Adapted Stein & Brown method)

Melting Pt (deg C): 21.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0131 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.74 (Mean VP of Antoine & Grain methods)

BP (exp database): 120 @ 5.18 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1.517

log Kow used: 5.15 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.4258 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Acrylates

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

Bond Method : 1.18E-003 atm-m3/mole (1.20E+002 Pa-m3/mole)

Group Method: 9.96E-004 atm-m3/mole (1.01E+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: 2.413E-003 atm-m3/mole (2.445E+002 Pa-m3/mole)

VP: 0.0131 mm Hg (source: MPBPVP)

WS: 1.52 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.15 (KowWin est)

Log Kaw used: -1.317 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.467

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9291

Biowin2 (Non-Linear Model) : 0.9973

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1685 (weeks )

Biowin4 (Primary Survey Model) : 4.0394 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8879

Biowin6 (MITI Non-Linear Model): 0.9433

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6240

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): 1.76 Pa (0.0132 mm Hg)

Log Koa (Koawin est ): 6.467

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

Mackay model : 1.7E-006

Octanol/air (Koa) model: 7.19E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.16E-005

Mackay model : 0.000136

Octanol/air (Koa) model: 5.76E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.2506 E-12 cm3/molecule-sec

Half-Life = 0.481 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.768 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

9.9E-005 (Junge-Pankow, Mackay avg)

5.76E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1296 L/kg (MCI method)

Log Koc: 3.113 (MCI method)

Koc : 5107 L/kg (Kow method)

Log Koc: 3.708 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.224E-003 L/mol-sec

Kb Half-Life at pH 8: 2.381 years

Kb Half-Life at pH 7: 23.812 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.689 (BCF = 48.88 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4665 days (HL = 0.3416 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.148 (BCF = 140.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.149 (BAF = 140.8)

log Kow used: 5.15 (estimated)

Volatilization from Water:

Henry LC: 0.000996 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.344 hours

Half-Life from Model Lake : 147.8 hours (6.156 days)

Removal In Wastewater Treatment:

Total removal: 83.66 percent

Total biodegradation: 0.65 percent

Total sludge adsorption: 78.24 percent

Total to Air: 4.77 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.79 10.7 1000

Water 17.9 360 1000

Soil 79.5 720 1000

Sediment 0.79 3.24e+003 0

Persistence Time: 381 hr

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