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: 71186-24-8



MOL FOR: C13 H20

MOL WT : 176.30

------------------------------ 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) = 5.97

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

Boiling Pt (deg C): 232.42 (Adapted Stein & Brown method)

Melting Pt (deg C): 17.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.107 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 14.3 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 0.133

log Kow used: 5.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.078 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 6.12E-001 atm-m3/mole (6.20E+004 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.866E-001 atm-m3/mole (1.891E+004 Pa-m3/mole)

VP: 0.107 mm Hg (source: MPBPVP)

WS: 0.133 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.97 (KowWin est)

Log Kaw used: 1.398 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.572

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5881

Biowin2 (Non-Linear Model) : 0.6515

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8958 (weeks )

Biowin4 (Primary Survey Model) : 3.7090 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3211

Biowin6 (MITI Non-Linear Model): 0.1824

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6683

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9277

BioHC Half-Life (days) : 8.4672

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

Vapor pressure (liquid/subcooled): 13.5 Pa (0.101 mm Hg)

Log Koa (Koawin est ): 4.572

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

Mackay model : 2.23E-007

Octanol/air (Koa) model: 9.16E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.05E-006

Mackay model : 1.78E-005

Octanol/air (Koa) model: 7.33E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 238.5334 E-12 cm3/molecule-sec

Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.538 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 12.658750 E-17 cm3/molecule-sec

Half-Life = 0.091 Days (at 7E11 mol/cm3)

Half-Life = 2.173 Hrs

Fraction sorbed to airborne particulates (phi):

1.29E-005 (Junge-Pankow, Mackay avg)

7.33E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5854 L/kg (MCI method)

Log Koc: 3.767 (MCI method)

Koc : 1.517E+005 L/kg (Kow method)

Log Koc: 5.181 (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 = 3.606 (BCF = 4034 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.1495 days (HL = 14.11 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.607 (BCF = 4048)

Log BAF Arnot-Gobas method (upper trophic) = 4.454 (BAF = 2.848e+004)

log Kow used: 5.97 (estimated)

Volatilization from Water:

Henry LC: 0.612 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.356 hours

Half-Life from Model Lake : 126.1 hours (5.255 days)

Removal In Wastewater Treatment (recommended maximum 95%):

Total removal: 99.36 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 60.94 percent

Total to Air: 38.20 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.886 0.72 1000

Water 67.6 360 1000

Soil 19.9 720 1000

Sediment 11.5 3.24e+003 0

Persistence Time: 92.4 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy