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CAS Number: 18835-32-0


CHEM : tricos-1-ene

MOL FOR: C23 H46

MOL WT : 322.62

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

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 v1.67 estimate) = 11.50

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

Boiling Pt (deg C): 368.36 (Adapted Stein & Brown method)

Melting Pt (deg C): 87.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.63E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0035 (Modified Grain method)

Subcooled liquid VP: 0.000105 mm Hg (25 deg C, Mod-Grain method)

: 0.014 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 3.96e-007

log Kow used: 11.50 (estimated)

no-melting pt equation used

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 : 4.43E+001 atm-m3/mole (4.49E+006 Pa-m3/mole)

Group Method: 1.90E+002 atm-m3/mole (1.92E+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: 2.819E+001 atm-m3/mole (2.857E+006 Pa-m3/mole)

VP: 2.63E-005 mm Hg (source: MPBPVP)

WS: 3.96E-007 mg/L (source: WSKOWWIN)

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

Log Kow used: 11.50 (KowWin est)

Log Kaw used: 3.258 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.242

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7024

Biowin2 (Non-Linear Model) : 0.5674

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7846 (weeks )

Biowin4 (Primary Survey Model) : 3.6513 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7596

Biowin6 (MITI Non-Linear Model): 0.8707

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7380

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.7010

BioHC Half-Life (days) : 50.2329

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

Vapor pressure (liquid/subcooled): 0.014 Pa (0.000105 mm Hg)

Log Koa (Koawin est ): 8.242

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

Mackay model : 0.000214

Octanol/air (Koa) model: 4.29E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00768

Mackay model : 0.0169

Octanol/air (Koa) model: 0.00342

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 54.1998 E-12 cm3/molecule-sec

Half-Life = 0.197 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.368 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.0123 (Junge-Pankow, Mackay avg)

0.00342 (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 : 9.56E+009 L/kg (Kow method)

Log Koc: 9.980 (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 = 1.322 (BCF = 21.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.2297 days (HL = 169.7 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.219 (BCF = 1.657)

Log BAF Arnot-Gobas method (upper trophic) = 3.374 (BAF = 2368)

log Kow used: 11.50 (estimated)

Volatilization from Water:

Henry LC: 44.3 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: 94.05 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.17 percent

Total to Air: 0.10 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.33 3.92 1000

Water 50.3 360 1000

Soil 48 720 1000

Sediment 0.334 3.24e+003 0

Persistence Time: 226 hr

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