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CAS Number: 2455-24-5


CHEM : 2-Propenoic acid, 2-methyl-, (tetrahydro-2-furanyl)methyl ester

MOL FOR: C9 H14 O3

MOL WT : 170.21

------------------------------ 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) = 1.80

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

Boiling Pt (deg C): 216.02 (Adapted Stein & Brown method)

Melting Pt (deg C): -2.71 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.161 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 21.4 (Mean VP of Antoine & Grain methods)

BP (exp database): 59-62 @ 0.6 mm Hg deg C

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

Water Solubility at 25 deg C (mg/L): 1792

log Kow used: 1.80 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12816 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.20E-007 atm-m3/mole (2.23E-002 Pa-m3/mole)

Group Method: 2.28E-007 atm-m3/mole (2.31E-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: 2.012E-005 atm-m3/mole (2.039E+000 Pa-m3/mole)

VP: 0.161 mm Hg (source: MPBPVP)

WS: 1.79E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.80 (KowWin est)

Log Kaw used: -5.046 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.846

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4933

Biowin2 (Non-Linear Model) : 0.7759

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9546 (weeks )

Biowin4 (Primary Survey Model) : 3.8214 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6848

Biowin6 (MITI Non-Linear Model): 0.7383

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2295

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): 19.9 Pa (0.149 mm Hg)

Log Koa (Koawin est ): 6.846

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

Mackay model : 1.51E-007

Octanol/air (Koa) model: 1.72E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.45E-006

Mackay model : 1.21E-005

Octanol/air (Koa) model: 0.000138

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 39.3852 E-12 cm3/molecule-sec

Half-Life = 0.272 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.259 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):

8.77E-006 (Junge-Pankow, Mackay avg)

0.000138 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 25.22 L/kg (MCI method)

Log Koc: 1.402 (MCI method)

Koc : 58.15 L/kg (Kow method)

Log Koc: 1.765 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 7.000E-003 L/mol-sec

Kb Half-Life at pH 8: 3.138 years

Kb Half-Life at pH 7: 31.376 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.853 (BCF = 7.123 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4367 days (HL = 0.03659 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.609 (BCF = 4.068)

Log BAF Arnot-Gobas method (upper trophic) = 0.609 (BAF = 4.068)

log Kow used: 1.80 (estimated)

Volatilization from Water:

Henry LC: 2.2E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3473 hours (144.7 days)

Half-Life from Model Lake : 3.8E+004 hours (1583 days)

Removal In Wastewater Treatment:

Total removal: 2.11 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.00 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.522 5.13 1000

Water 33.5 360 1000

Soil 65.9 720 1000

Sediment 0.0966 3.24e+003 0

Persistence Time: 422 hr

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