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CAS Number: 1560-88-9



MOL FOR: C19 H40

MOL WT : 268.53

------------------------------ 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) = 9.60

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

Boiling Pt (deg C): 312.92 (Adapted Stein & Brown method)

Melting Pt (deg C): 24.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00186 (Modified Grain method)

VP (Pa, 25 deg C) : 0.248 (Modified Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.433e-005

log Kow used: 9.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.2589e-006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.79E+001 atm-m3/mole (6.88E+006 Pa-m3/mole)

Group Method: 1.81E+002 atm-m3/mole (1.84E+007 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: 1.914E+001 atm-m3/mole (1.940E+006 Pa-m3/mole)

VP: 0.00186 mm Hg (source: MPBPVP)

WS: 3.43E-005 mg/L (source: WSKOWWIN)

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

Log Kow used: 9.60 (KowWin est)

Log Kaw used: 3.443 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.157

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7281

Biowin2 (Non-Linear Model) : 0.7387

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9041 (weeks )

Biowin4 (Primary Survey Model) : 3.7294 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6051

Biowin6 (MITI Non-Linear Model): 0.7639

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5036

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.4861

BioHC Half-Life (days) : 30.6280

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

Vapor pressure (liquid/subcooled): 0.248 Pa (0.00186 mm Hg)

Log Koa (Koawin est ): 6.157

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

Mackay model : 1.21E-005

Octanol/air (Koa) model: 3.52E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000437

Mackay model : 0.000967

Octanol/air (Koa) model: 2.82E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.8195 E-12 cm3/molecule-sec

Half-Life = 0.449 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.389 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000702 (Junge-Pankow, Mackay avg)

2.82E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.706E+005 L/kg (MCI method)

Log Koc: 5.432 (MCI method)

Koc : 2.145E+008 L/kg (Kow method)

Log Koc: 8.331 (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 = 2.254 (BCF = 179.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.6655 days (HL = 46.29 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.337 (BCF = 21.72)

Log BAF Arnot-Gobas method (upper trophic) = 4.406 (BAF = 2.544e+004)

log Kow used: 9.60 (estimated)

Volatilization from Water:

Henry LC: 67.9 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.672 hours

Half-Life from Model Lake : 155.6 hours (6.485 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 95.47 percent

Total biodegradation: 0.63 percent

Total sludge adsorption: 85.23 percent

Total to Air: 9.60 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.59 10.8 1000

Water 83.9 360 1000

Soil 6.15 720 1000

Sediment 3.35 3.24e+003 0

Persistence Time: 135 hr

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