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 Num: 007289-52-3


CHEM : Decane, 1-methoxy-

MOL FOR: C11 H24 O1

MOL WT : 172.31

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

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.49

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

Boiling Pt (deg C): 206.47 (Adapted Stein & Brown method)

Melting Pt (deg C): -15.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.38 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 50.6 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8.832

log Kow used: 4.49 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19.249 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.10E-002 atm-m3/mole (1.12E+003 Pa-m3/mole)

Group Method: 1.07E-002 atm-m3/mole (1.08E+003 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: 9.755E-003 atm-m3/mole (9.884E+002 Pa-m3/mole)

VP: 0.38 mm Hg (source: MPBPVP)

WS: 8.83 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.49 (KowWin est)

Log Kaw used: -0.347 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.837

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4266

Biowin2 (Non-Linear Model) : 0.2643

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1081 (weeks )

Biowin4 (Primary Survey Model) : 3.8585 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6465

Biowin6 (MITI Non-Linear Model): 0.7939

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3359

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 46.8 Pa (0.351 mm Hg)

Log Koa (Koawin est ): 4.837

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

Mackay model : 6.41E-008

Octanol/air (Koa) model: 1.69E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.32E-006

Mackay model : 5.13E-006

Octanol/air (Koa) model: 1.35E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.6527 E-12 cm3/molecule-sec

Half-Life = 0.494 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.928 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.72E-006 (Junge-Pankow, Mackay avg)

1.35E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 647.6 L/kg (MCI method)

Log Koc: 2.811 (MCI method)

Koc : 2080 L/kg (Kow method)

Log Koc: 3.318 (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 = 1.253 (BCF = 17.91 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1189 days (HL = 1.315 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.672 (BCF = 469.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.673 (BAF = 471.2)

log Kow used: 4.49 (estimated)

Volatilization from Water:

Henry LC: 0.0107 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.411 hours

Half-Life from Model Lake : 125.5 hours (5.228 days)

Removal In Wastewater Treatment:

Total removal: 87.22 percent

Total biodegradation: 0.22 percent

Total sludge adsorption: 39.29 percent

Total to Air: 47.71 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.5 11.9 1000

Water 38 360 1000

Soil 54.6 720 1000

Sediment 0.925 3.24e+003 0

Persistence Time: 164 hr

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