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CAS Num: 007786-29-0


CHEM : Octanal, 2-methyl-

MOL FOR: C9 H18 O1

MOL WT : 142.24

------------------------------ 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) = 3.20

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

Boiling Pt (deg C): 184.21 (Adapted Stein & Brown method)

Melting Pt (deg C): -30.54 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.786 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 105 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 152.1

log Kow used: 3.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 449.14 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 4.93E-004 atm-m3/mole (5.00E+001 Pa-m3/mole)

Group Method: 1.04E-003 atm-m3/mole (1.06E+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: 9.672E-004 atm-m3/mole (9.800E+001 Pa-m3/mole)

VP: 0.786 mm Hg (source: MPBPVP)

WS: 152 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.20 (KowWin est)

Log Kaw used: -1.696 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.896

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0729

Biowin2 (Non-Linear Model) : 1.0000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2055 (weeks )

Biowin4 (Primary Survey Model) : 4.1082 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8976

Biowin6 (MITI Non-Linear Model): 0.9627

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4459

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): 95.3 Pa (0.715 mm Hg)

Log Koa (Koawin est ): 4.896

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

Mackay model : 3.15E-008

Octanol/air (Koa) model: 1.93E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.14E-006

Mackay model : 2.52E-006

Octanol/air (Koa) model: 1.55E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 33.1156 E-12 cm3/molecule-sec

Half-Life = 0.323 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.876 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.83E-006 (Junge-Pankow, Mackay avg)

1.55E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 31.74 L/kg (MCI method)

Log Koc: 1.502 (MCI method)

Koc : 292.3 L/kg (Kow method)

Log Koc: 2.466 (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 = 1.777 (BCF = 59.87 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2183 days (HL = 0.6049 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.001 (BCF = 100.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.001 (BAF = 100.3)

log Kow used: 3.20 (estimated)

Volatilization from Water:

Henry LC: 0.00104 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.888 hours

Half-Life from Model Lake : 120.6 hours (5.025 days)

Removal In Wastewater Treatment:

Total removal: 34.90 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 6.49 percent

Total to Air: 28.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.18 7.75 1000

Water 49.6 360 1000

Soil 45.1 720 1000

Sediment 0.156 3.24e+003 0

Persistence Time: 142 hr

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