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CAS Number: 58475-04-0


CHEM : 4-ethyloctanal

MOL FOR: C10 H20 O1

MOL WT : 156.27

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 3.69

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

Boiling Pt (deg C): 204.38 (Adapted Stein & Brown method)

Melting Pt (deg C): -19.01 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.29 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 38.6 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 50.29

log Kow used: 3.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 143.29 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 6.54E-004 atm-m3/mole (6.63E+001 Pa-m3/mole)

Group Method: 1.14E-003 atm-m3/mole (1.16E+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: 1.186E-003 atm-m3/mole (1.201E+002 Pa-m3/mole)

VP: 0.29 mm Hg (source: MPBPVP)

WS: 50.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.69 (KowWin est)

Log Kaw used: -1.573 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.263

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0662

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1745 (weeks )

Biowin4 (Primary Survey Model) : 4.0880 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9053

Biowin6 (MITI Non-Linear Model): 0.9635

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4719

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): 35.5 Pa (0.266 mm Hg)

Log Koa (Koawin est ): 5.263

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

Mackay model : 8.46E-008

Octanol/air (Koa) model: 4.5E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.06E-006

Mackay model : 6.77E-006

Octanol/air (Koa) model: 3.6E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.1703 E-12 cm3/molecule-sec

Half-Life = 0.304 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.649 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.91E-006 (Junge-Pankow, Mackay avg)

3.6E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 60.54 L/kg (MCI method)

Log Koc: 1.782 (MCI method)

Koc : 545.6 L/kg (Kow method)

Log Koc: 2.737 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.101 (BCF = 126.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0792 days (HL = 0.8333 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.320 (BCF = 208.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.320 (BAF = 208.9)

log Kow used: 3.69 (estimated)

Volatilization from Water:

Henry LC: 0.00114 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.918 hours

Half-Life from Model Lake : 125.7 hours (5.239 days)

Removal In Wastewater Treatment:

Total removal: 42.49 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 15.47 percent

Total to Air: 26.85 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.11 7.3 1000

Water 42.1 360 1000

Soil 53.6 720 1000

Sediment 0.182 3.24e+003 0

Persistence Time: 165 hr

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