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: 1000284-53-6



MOL FOR: C18 H36 O2

MOL WT : 284.49

------------------------------ 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) = 6.41

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

Boiling Pt (deg C): 336.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 75.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000183 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0243 (Modified Grain method)

Subcooled liquid VP: 0.000544 mm Hg (25 deg C, Mod-Grain method)

: 0.0725 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.05082

log Kow used: 6.41 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.72336 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.12E-004 atm-m3/mole (3.16E+001 Pa-m3/mole)

Group Method: 3.88E-005 atm-m3/mole (3.93E+000 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: 1.348E-003 atm-m3/mole (1.366E+002 Pa-m3/mole)

VP: 0.000183 mm Hg (source: MPBPVP)

WS: 0.0508 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.41 (KowWin est)

Log Kaw used: -1.894 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.304

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1342

Biowin2 (Non-Linear Model) : 0.0147

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1498 (weeks )

Biowin4 (Primary Survey Model) : 3.9560 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4675

Biowin6 (MITI Non-Linear Model): 0.2931

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6143

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.0725 Pa (0.000544 mm Hg)

Log Koa (Koawin est ): 8.304

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

Mackay model : 4.14E-005

Octanol/air (Koa) model: 4.94E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00149

Mackay model : 0.0033

Octanol/air (Koa) model: 0.00394

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 71.8013 E-12 cm3/molecule-sec

Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.788 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00239 (Junge-Pankow, Mackay avg)

0.00394 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.017E+004 L/kg (MCI method)

Log Koc: 4.007 (MCI method)

Koc : 1.947E+004 L/kg (Kow method)

Log Koc: 4.289 (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 = 2.521 (BCF = 332 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8671 days (HL = 7.364 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.265 (BCF = 1842)

Log BAF Arnot-Gobas method (upper trophic) = 4.076 (BAF = 1.192e+004)

log Kow used: 6.41 (estimated)

Volatilization from Water:

Henry LC: 3.88E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 27.17 hours (1.132 days)

Half-Life from Model Lake : 437.9 hours (18.24 days)

Removal In Wastewater Treatment:

Total removal: 93.30 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.51 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.374 3.58 1000

Water 21.3 360 1000

Soil 72.5 720 1000

Sediment 5.74 3.24e+003 0

Persistence Time: 477 hr

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