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CAS Number: 818-61-1

SMILES : O=C(OCCO)C=C

CHEM : 2-Propenoic acid, 2-hydroxyethyl ester

MOL FOR: C5 H8 O3

MOL WT : 116.12

------------------------------ 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) = -0.25

Log Kow (Exper. database match) = -0.21

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 184.08 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.92 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.126 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 16.9 (Mean VP of Antoine & Grain methods)

BP (exp database): 191 deg C

VP (exp database): 5.23E-02 mm Hg (6.97E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 5.069e+005

log Kow used: -0.21 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: ULLMANN'S ENCYCL; A21:159

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.7462e+005 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Acrylates

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

Bond Method : 4.49E-009 atm-m3/mole (4.55E-004 Pa-m3/mole)

Group Method: 7.22E-010 atm-m3/mole (7.31E-005 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: 3.798E-008 atm-m3/mole (3.848E-003 Pa-m3/mole)

VP: 0.126 mm Hg (source: MPBPVP)

WS: 5.07E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.21 (exp database)

Log Kaw used: -6.736 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.526

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0252

Biowin2 (Non-Linear Model) : 0.9986

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2427 (weeks )

Biowin4 (Primary Survey Model) : 4.0386 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9890

Biowin6 (MITI Non-Linear Model): 0.9726

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9721

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): 6.97 Pa (0.0523 mm Hg)

Log Koa (Koawin est ): 6.526

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

Mackay model : 4.3E-007

Octanol/air (Koa) model: 8.24E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.55E-005

Mackay model : 3.44E-005

Octanol/air (Koa) model: 6.59E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.2040 E-12 cm3/molecule-sec

Half-Life = 0.703 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.442 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):

2.5E-005 (Junge-Pankow, Mackay avg)

6.59E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1 L/kg (MCI method)

Log Koc: 0.000 (MCI method)

Koc : 2.147 L/kg (Kow method)

Log Koc: 0.332 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.440E-002 L/mol-sec

Kb Half-Life at pH 8: 328.762 days

Kb Half-Life at pH 7: 9.001 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.3765 days (HL = 0.004202 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.043 (BCF = 0.9049)

Log BAF Arnot-Gobas method (upper trophic) = -0.043 (BAF = 0.9049)

log Kow used: -0.21 (expkow database)

Volatilization from Water:

Henry LC: 7.22E-010 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.738E+005 hours (3.641E+004 days)

Half-Life from Model Lake : 9.533E+006 hours (3.972E+005 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0166 15.2 1000

Water 37.8 360 1000

Soil 62.1 720 1000

Sediment 0.0708 3.24e+003 0

Persistence Time: 584 hr

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