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CAS Number:


CHEM : ethyl 5-(formyloxy)decanoate

MOL FOR: C13 H24 O4

MOL WT : 244.33

------------------------------ 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) = 3.71

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

Boiling Pt (deg C): 269.87 (Adapted Stein & Brown method)

Melting Pt (deg C): -18.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0093 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.24 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 17.16

log Kow used: 3.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 20.964 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 7.32E-006 atm-m3/mole (7.42E-001 Pa-m3/mole)

Group Method: 2.68E-006 atm-m3/mole (2.72E-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: 1.742E-004 atm-m3/mole (1.765E+001 Pa-m3/mole)

VP: 0.0093 mm Hg (source: MPBPVP)

WS: 17.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.71 (KowWin est)

Log Kaw used: -3.524 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.234

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0880

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2380 (weeks )

Biowin4 (Primary Survey Model) : 4.2222 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.0182

Biowin6 (MITI Non-Linear Model): 0.9768

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7450

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): 1.27 Pa (0.00952 mm Hg)

Log Koa (Koawin est ): 7.234

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

Mackay model : 2.36E-006

Octanol/air (Koa) model: 4.21E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.54E-005

Mackay model : 0.000189

Octanol/air (Koa) model: 0.000336

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 15.0952 E-12 cm3/molecule-sec

Half-Life = 0.709 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 8.503 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000137 (Junge-Pankow, Mackay avg)

0.000336 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 200.1 L/kg (MCI method)

Log Koc: 2.301 (MCI method)

Koc : 701.5 L/kg (Kow method)

Log Koc: 2.846 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.748E+000 L/mol-sec

Kb Half-Life at pH 8: 2.140 days

Kb Half-Life at pH 7: 21.402 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.117 (BCF = 130.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.0170 days (HL = 0.009617 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.823 (BCF = 6.646)

Log BAF Arnot-Gobas method (upper trophic) = 0.823 (BAF = 6.646)

log Kow used: 3.71 (estimated)

Volatilization from Water:

Henry LC: 2.68E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 343.1 hours (14.29 days)

Half-Life from Model Lake : 3874 hours (161.4 days)

Removal In Wastewater Treatment:

Total removal: 18.87 percent

Total biodegradation: 0.23 percent

Total sludge adsorption: 18.51 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.42 17 1000

Water 26.1 360 1000

Soil 72.3 720 1000

Sediment 0.249 3.24e+003 0

Persistence Time: 459 hr

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