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CAS Number: 6040-45-5



MOL FOR: C10 H16 O1

MOL WT : 152.24

------------------------------ 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) = 2.83

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

Boiling Pt (deg C): 190.52 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.577 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 77 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 285.9

log Kow used: 2.83 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 502.11 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aldehydes (Mono)

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

Bond Method : 1.27E-004 atm-m3/mole (1.29E+001 Pa-m3/mole)

Group Method: 3.38E-005 atm-m3/mole (3.42E+000 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: 4.043E-004 atm-m3/mole (4.096E+001 Pa-m3/mole)

VP: 0.577 mm Hg (source: MPBPVP)

WS: 286 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.83 (KowWin est)

Log Kaw used: -2.285 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.115

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5918

Biowin2 (Non-Linear Model) : 0.9899

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4608 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5179 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8714

Biowin6 (MITI Non-Linear Model): 0.8749

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1097

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 70.1 Pa (0.526 mm Hg)

Log Koa (Koawin est ): 5.115

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

Mackay model : 4.28E-008

Octanol/air (Koa) model: 3.2E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.55E-006

Mackay model : 3.42E-006

Octanol/air (Koa) model: 2.56E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 24.1266 E-12 cm3/molecule-sec

Half-Life = 0.443 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.320 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.48E-006 (Junge-Pankow, Mackay avg)

2.56E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 41.82 L/kg (MCI method)

Log Koc: 1.621 (MCI method)

Koc : 182.5 L/kg (Kow method)

Log Koc: 2.261 (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 v3.01):

Log BCF from regression-based method = 1.532 (BCF = 34.05 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1917 days (HL = 1.555 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.810 (BCF = 64.63)

Log BAF Arnot-Gobas method (upper trophic) = 1.810 (BAF = 64.63)

log Kow used: 2.83 (estimated)

Volatilization from Water:

Henry LC: 3.38E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 22.63 hours

Half-Life from Model Lake : 350.4 hours (14.6 days)

Removal In Wastewater Treatment:

Total removal: 6.19 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.32 percent

Total to Air: 1.76 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.904 10.6 1000

Water 30.3 900 1000

Soil 68.6 1.8e+003 1000

Sediment 0.118 8.1e+003 0

Persistence Time: 675 hr

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