BT

The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Number: 15625-89-5

SMILES : O=C(OCC(CC)(COC(=O)C=C)COC(=O)C=C)C=C

CHEM : 2-Propenoic acid, 2-ethyl-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propa

nediyl ester

MOL FOR: C15 H20 O6

MOL WT : 296.32

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

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 2.86

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

Boiling Pt (deg C): 322.42 (Adapted Stein & Brown method)

Melting Pt (deg C): 27.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000563 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0751 (Modified Grain method)

BP (exp database): >200 @ 1 mm Hg deg C

Subcooled liquid VP: 0.000589 mm Hg (25 deg C, Mod-Grain method)

: 0.0785 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 46.31

log Kow used: 2.86 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 74.317 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

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

Bond Method : 6.01E-010 atm-m3/mole (6.09E-005 Pa-m3/mole)

Group Method: 6.58E-012 atm-m3/mole (6.67E-007 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: 4.740E-006 atm-m3/mole (4.803E-001 Pa-m3/mole)

VP: 0.000563 mm Hg (source: MPBPVP)

WS: 46.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.86 (KowWin est)

Log Kaw used: -7.610 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.470

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9451

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7528 (weeks )

Biowin4 (Primary Survey Model) : 3.9537 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1832

Biowin6 (MITI Non-Linear Model): 0.9759

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3801

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): 0.0785 Pa (0.000589 mm Hg)

Log Koa (Koawin est ): 10.470

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

Mackay model : 3.82E-005

Octanol/air (Koa) model: 0.00724

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00138

Mackay model : 0.00305

Octanol/air (Koa) model: 0.367

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.4454 E-12 cm3/molecule-sec

Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.726 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.525000 E-17 cm3/molecule-sec

Half-Life = 2.183 Days (at 7E11 mol/cm3)

Half-Life = 52.389 Hrs

Fraction sorbed to airborne particulates (phi):

0.00221 (Junge-Pankow, Mackay avg)

0.367 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1511 L/kg (MCI method)

Log Koc: 3.179 (MCI method)

Koc : 237.6 L/kg (Kow method)

Log Koc: 2.376 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.421E-002 L/mol-sec

Kb Half-Life at pH 8: 331.330 days

Kb Half-Life at pH 7: 9.071 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.556 (BCF = 35.96 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.7656 days (HL = 0.001715 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.626 (BCF = 4.222)

Log BAF Arnot-Gobas method (upper trophic) = 0.626 (BAF = 4.222)

log Kow used: 2.86 (estimated)

Volatilization from Water:

Henry LC: 6.58E-012 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.532E+008 hours (6.382E+006 days)

Half-Life from Model Lake : 1.671E+009 hours (6.962E+007 days)

Removal In Wastewater Treatment:

Total removal: 4.66 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 4.55 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 0.000114 6.52 1000

Water 16.1 360 1000

Soil 83.1 720 1000

Sediment 0.818 3.24e+003 0

Persistence Time: 786 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy