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: 041890-92-0


CHEM : 2-Octanol, 7-methoxy-3,7-dimethyl-

MOL FOR: C11 H24 O2

MOL WT : 188.31

------------------------------ 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) = 2.76

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

Boiling Pt (deg C): 229.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 8.24 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0119 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.58 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 707.1

log Kow used: 2.76 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3532.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.04E-007 atm-m3/mole (4.09E-002 Pa-m3/mole)

Group Method: 2.62E-007 atm-m3/mole (2.66E-002 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: 4.170E-006 atm-m3/mole (4.225E-001 Pa-m3/mole)

VP: 0.0119 mm Hg (source: MPBPVP)

WS: 707 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.76 (KowWin est)

Log Kaw used: -4.782 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.542

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2853

Biowin2 (Non-Linear Model) : 0.0241

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7222 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5423 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4311

Biowin6 (MITI Non-Linear Model): 0.3945

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.2742

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): 1.48 Pa (0.0111 mm Hg)

Log Koa (Koawin est ): 7.542

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

Mackay model : 2.03E-006

Octanol/air (Koa) model: 8.55E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.32E-005

Mackay model : 0.000162

Octanol/air (Koa) model: 0.000684

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.3899 E-12 cm3/molecule-sec

Half-Life = 0.525 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.295 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000118 (Junge-Pankow, Mackay avg)

0.000684 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 30.17 L/kg (MCI method)

Log Koc: 1.480 (MCI method)

Koc : 89.06 L/kg (Kow method)

Log Koc: 1.950 (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 = 1.491 (BCF = 30.95 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6381 days (HL = 0.2301 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.563 (BCF = 36.56)

Log BAF Arnot-Gobas method (upper trophic) = 1.563 (BAF = 36.57)

log Kow used: 2.76 (estimated)

Volatilization from Water:

Henry LC: 2.62E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3068 hours (127.8 days)

Half-Life from Model Lake : 3.358E+004 hours (1399 days)

Removal In Wastewater Treatment:

Total removal: 4.11 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.99 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.566 12.6 1000

Water 32.2 900 1000

Soil 67.1 1.8e+003 1000

Sediment 0.108 8.1e+003 0

Persistence Time: 836 hr

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