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CAS Number: 27519-02-4


CHEM : 9-Tricosene, (Z)-

MOL FOR: C23 H46

MOL WT : 322.62

------------------------------ 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) = 11.42

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

Boiling Pt (deg C): 372.80 (Adapted Stein & Brown method)

Melting Pt (deg C): 79.05 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.34E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00845 (Modified Grain method)

MP (exp database): < 0 deg C

BP (exp database): 378 deg C

VP (exp database): 3.53E-05 mm Hg (4.71E-003 Pa) at 27 deg C

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

Water Solubility at 25 deg C (mg/L): 4.622e-007

log Kow used: 11.42 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.3 mg/L (25 deg C)

Exper. Ref: TOMLIN,C (1997); pH 7

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.2262e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.23E+001 atm-m3/mole (5.30E+006 Pa-m3/mole)

Group Method: 1.58E+002 atm-m3/mole (1.60E+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: 5.823E+001 atm-m3/mole (5.900E+006 Pa-m3/mole)

VP: 6.34E-005 mm Hg (source: MPBPVP)

WS: 4.62E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.42 (KowWin est)

Log Kaw used: 3.330 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.090

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8108

Biowin2 (Non-Linear Model) : 0.8923

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0829 (weeks )

Biowin4 (Primary Survey Model) : 3.9204 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7044

Biowin6 (MITI Non-Linear Model): 0.8128

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3882

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.5443

BioHC Half-Life (days) : 35.0224

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

Vapor pressure (liquid/subcooled): 0.00471 Pa (3.53E-005 mm Hg)

Log Koa (Koawin est ): 8.090

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

Mackay model : 0.000637

Octanol/air (Koa) model: 3.02E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0225

Mackay model : 0.0485

Octanol/air (Koa) model: 0.00241

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 82.5256 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 90.1256 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.555 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.424 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0355 (Junge-Pankow, Mackay avg)

0.00241 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.548E+006 L/kg (MCI method)

Log Koc: 6.550 (MCI method)

Koc : 8.147E+009 L/kg (Kow method)

Log Koc: 9.911 (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 = 1.361 (BCF = 22.95 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.3617 days (HL = 230 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.305 (BCF = 2.02)

Log BAF Arnot-Gobas method (upper trophic) = 3.595 (BAF = 3931)

log Kow used: 11.42 (estimated)

Volatilization from Water:

Henry LC: 52.3 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.833 hours

Half-Life from Model Lake : 170.6 hours (7.108 days)

Removal In Wastewater Treatment:

Total removal: 94.06 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.13 percent

Total to Air: 0.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.482 1.26 1000

Water 53.6 360 1000

Soil 45.5 720 1000

Sediment 0.427 3.24e+003 0

Persistence Time: 212 hr

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