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CAS Number: 103-11-7


CHEM : 2-Propenoic acid, 2-ethylhexyl ester

MOL FOR: C11 H20 O2

MOL WT : 184.28

------------------------------ 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) = 4.09

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

Boiling Pt (deg C): 216.92 (Adapted Stein & Brown method)

Melting Pt (deg C): -10.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.183 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 24.4 (Mean VP of Antoine & Grain methods)

MP (exp database): -90 deg C

BP (exp database): 213.5 deg C

VP (exp database): 1.78E-01 mm Hg (2.37E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 16.8

log Kow used: 4.09 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 100 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 24.593 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 6.72E-004 atm-m3/mole (6.81E+001 Pa-m3/mole)

Group Method: 6.00E-004 atm-m3/mole (6.08E+001 Pa-m3/mole)

Exper Database: 4.32E-04 atm-m3/mole (4.38E+001 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: 2.641E-003 atm-m3/mole (2.676E+002 Pa-m3/mole)

VP: 0.183 mm Hg (source: MPBPVP)

WS: 16.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.09 (KowWin est)

Log Kaw used: -1.753 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.843

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9424

Biowin2 (Non-Linear Model) : 0.9982

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2305 (weeks )

Biowin4 (Primary Survey Model) : 4.0799 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7234

Biowin6 (MITI Non-Linear Model): 0.8610

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2746

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): 23.7 Pa (0.178 mm Hg)

Log Koa (Koawin est ): 5.843

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

Mackay model : 1.26E-007

Octanol/air (Koa) model: 1.71E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.57E-006

Mackay model : 1.01E-005

Octanol/air (Koa) model: 1.37E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.1115 E-12 cm3/molecule-sec

Half-Life = 0.532 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.382 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):

7.34E-006 (Junge-Pankow, Mackay avg)

1.37E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 359.5 L/kg (MCI method)

Log Koc: 2.556 (MCI method)

Koc : 1324 L/kg (Kow method)

Log Koc: 3.122 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.330E-002 L/mol-sec

Kb Half-Life at pH 8: 1.651 years

Kb Half-Life at pH 7: 16.512 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.367 (BCF = 232.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7619 days (HL = 0.173 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.846 (BCF = 70.15)

Log BAF Arnot-Gobas method (upper trophic) = 1.846 (BAF = 70.15)

log Kow used: 4.09 (estimated)

Volatilization from Water:

Henry LC: 0.000432 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 3.225 hours

Half-Life from Model Lake : 149 hours (6.209 days)

Removal In Wastewater Treatment:

Total removal: 43.05 percent

Total biodegradation: 0.32 percent

Total sludge adsorption: 32.01 percent

Total to Air: 10.73 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.04 11.8 1000

Water 20.8 360 1000

Soil 76.8 720 1000

Sediment 0.313 3.24e+003 0

Persistence Time: 364 hr

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