BT

The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Number: 208-96-8

SMILES : c1ccc2cccc3c2c1C=C3

CHEM : Acenaphthylene

MOL FOR: C12 H8

MOL WT : 152.20

------------------------------ 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) = 3.94

Log Kow (Exper. database match) = 3.94

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 274.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 54.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00125 (Modified Grain method)

VP (Pa, 25 deg C) : 0.167 (Modified Grain method)

MP (exp database): 92.5 deg C

BP (exp database): 280 deg C

VP (exp database): 6.68E-03 mm Hg (8.91E-001 Pa) at 25 deg C

Subcooled liquid VP: 0.0311 mm Hg (25 deg C, exp database VP )

: 4.14 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 2.487

log Kow used: 3.94 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 16.1 mg/L (25 deg C)

Exper. Ref: WALTERS,RW & LUTHY,RG (1984A)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.3684 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 5.48E-005 atm-m3/mole (5.56E+000 Pa-m3/mole)

Group Method: 1.54E-005 atm-m3/mole (1.56E+000 Pa-m3/mole)

Exper Database: 1.14E-04 atm-m3/mole (1.16E+001 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: 1.007E-004 atm-m3/mole (1.020E+001 Pa-m3/mole)

VP: 0.00125 mm Hg (source: MPBPVP)

WS: 2.49 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.94 (exp database)

Log Kaw used: -2.332 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.272

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6751

Biowin2 (Non-Linear Model) : 0.7000

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8628 (weeks )

Biowin4 (Primary Survey Model) : 3.6282 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3210

Biowin6 (MITI Non-Linear Model): 0.2516

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1165

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.4871

BioHC Half-Life (days) : 30.7003

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

Vapor pressure (liquid/subcooled): 4.15 Pa (0.0311 mm Hg)

Log Koa (Koawin est ): 6.272

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

Mackay model : 7.23E-007

Octanol/air (Koa) model: 4.59E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.61E-005

Mackay model : 5.79E-005

Octanol/air (Koa) model: 3.67E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 75.4921 E-12 cm3/molecule-sec

Half-Life = 0.142 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.700 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec

Half-Life = 0.045 Days (at 7E11 mol/cm3)

Half-Life = 1.091 Hrs

Fraction sorbed to airborne particulates (phi):

4.2E-005 (Junge-Pankow, Mackay avg)

3.67E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5027 L/kg (MCI method)

Log Koc: 3.701 (MCI method)

Koc : 2625 L/kg (Kow method)

Log Koc: 3.419 (Kow method)

Experimental Log Koc: 3.75 (database)

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 = 2.267 (BCF = 184.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.5715 days (HL = 3.728 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.740 (BCF = 549)

Log BAF Arnot-Gobas method (upper trophic) = 2.742 (BAF = 551.5)

log Kow used: 3.94 (expkow database)

Volatilization from Water:

Henry LC: 0.000114 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 7.595 hours

Half-Life from Model Lake : 186.3 hours (7.762 days)

Removal In Wastewater Treatment:

Total removal: 30.79 percent

Total biodegradation: 0.29 percent

Total sludge adsorption: 26.52 percent

Total to Air: 3.98 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0961 0.744 1000

Water 19.9 360 1000

Soil 76.9 720 1000

Sediment 3.08 3.24e+003 0

Persistence Time: 447 hr

Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) Disclaimer Privacy Policy