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CAS Number: 142-09-6

SMILES : O=C(OCCCCCC)C(=C)C

CHEM : 2-Propenoic acid, 2-methyl-, hexyl ester

MOL FOR: C10 H18 O2

MOL WT : 170.25

------------------------------ EPI SUMMARY (v4.10) --------------------------

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) = 3.73

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

Boiling Pt (deg C): 203.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -19.35 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.297 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 39.6 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 39.97

log Kow used: 3.73 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 76.726 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Methacrylates

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

Bond Method : 5.97E-004 atm-m3/mole (6.05E+001 Pa-m3/mole)

Group Method: 1.58E-003 atm-m3/mole (1.60E+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: 1.665E-003 atm-m3/mole (1.687E+002 Pa-m3/mole)

VP: 0.297 mm Hg (source: MPBPVP)

WS: 40 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.73 (KowWin est)

Log Kaw used: -1.612 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.342

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9491

Biowin2 (Non-Linear Model) : 0.9985

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2615 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1001 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8097

Biowin6 (MITI Non-Linear Model): 0.9089

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5140

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): 36.3 Pa (0.272 mm Hg)

Log Koa (Koawin est ): 5.342

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

Mackay model : 8.27E-008

Octanol/air (Koa) model: 5.4E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.99E-006

Mackay model : 6.62E-006

Octanol/air (Koa) model: 4.32E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 25.5194 E-12 cm3/molecule-sec

Half-Life = 0.419 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.030 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec

Half-Life = 1.007 Days (at 7E11 mol/cm3)

Half-Life = 24.179 Hrs

Fraction sorbed to airborne particulates (phi):

4.8E-006 (Junge-Pankow, Mackay avg)

4.32E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 183.7 L/kg (MCI method)

Log Koc: 2.264 (MCI method)

Koc : 836.9 L/kg (Kow method)

Log Koc: 2.923 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.727E-003 L/mol-sec

Kb Half-Life at pH 8: 8.054 years

Kb Half-Life at pH 7: 80.536 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.128 (BCF = 134.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7446 days (HL = 0.18 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.830 (BCF = 67.54)

Log BAF Arnot-Gobas method (upper trophic) = 1.830 (BAF = 67.54)

log Kow used: 3.73 (estimated)

Volatilization from Water:

Henry LC: 0.00158 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.815 hours

Half-Life from Model Lake : 129.2 hours (5.384 days)

Removal In Wastewater Treatment:

Total removal: 48.67 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 16.03 percent

Total to Air: 32.47 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.33 7.1 1000

Water 31.5 208 1000

Soil 65 416 1000

Sediment 0.231 1.87e+003 0

Persistence Time: 166 hr

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