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CAS Num: 019009-56-4


CHEM : Decanal, 2-methyl-

MOL FOR: C11 H22 O1

MOL WT : 170.30

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.18

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

Boiling Pt (deg C): 223.64 (Adapted Stein & Brown method)

Melting Pt (deg C): -7.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.109 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 14.5 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 16.49

log Kow used: 4.18 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 45.344 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 8.69E-004 atm-m3/mole (8.80E+001 Pa-m3/mole)

Group Method: 2.08E-003 atm-m3/mole (2.11E+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: 1.481E-003 atm-m3/mole (1.501E+002 Pa-m3/mole)

VP: 0.109 mm Hg (source: MPBPVP)

WS: 16.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.18 (KowWin est)

Log Kaw used: -1.449 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.629

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0595

Biowin2 (Non-Linear Model) : 0.9999

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1435 (weeks )

Biowin4 (Primary Survey Model) : 4.0677 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9130

Biowin6 (MITI Non-Linear Model): 0.9644

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4979

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): 13.6 Pa (0.102 mm Hg)

Log Koa (Koawin est ): 5.629

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

Mackay model : 2.21E-007

Octanol/air (Koa) model: 1.04E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.97E-006

Mackay model : 1.76E-005

Octanol/air (Koa) model: 8.36E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.9417 E-12 cm3/molecule-sec

Half-Life = 0.298 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.571 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.28E-005 (Junge-Pankow, Mackay avg)

8.36E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 105.4 L/kg (MCI method)

Log Koc: 2.023 (MCI method)

Koc : 1018 L/kg (Kow method)

Log Koc: 3.008 (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 = 1.051 (BCF = 11.25 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0600 days (HL = 1.148 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.569 (BCF = 370.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.569 (BAF = 371)

log Kow used: 4.18 (estimated)

Volatilization from Water:

Henry LC: 0.00208 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.699 hours

Half-Life from Model Lake : 128 hours (5.332 days)

Removal In Wastewater Treatment:

Total removal: 62.42 percent

Total biodegradation: 0.27 percent

Total sludge adsorption: 32.28 percent

Total to Air: 29.87 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.37 7.14 1000

Water 42.4 360 1000

Soil 52.9 720 1000

Sediment 0.257 3.24e+003 0

Persistence Time: 156 hr

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