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CAS Num: 000100-66-3

SMILES : O(c(cccc1)c1)C

CHEM : Benzene, methoxy-

MOL FOR: C7 H8 O1

MOL WT : 108.14

------------------------------ 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) = 2.07

Log Kow (Exper. database match) = 2.11

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

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

Boiling Pt (deg C): 149.16 (Adapted Stein & Brown method)

Melting Pt (deg C): -41.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.38 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 450 (Mean VP of Antoine & Grain methods)

MP (exp database): -37.5 deg C

BP (exp database): 153.7 deg C

VP (exp database): 3.54E+00 mm Hg (4.72E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 1741

log Kow used: 2.11 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1040 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 872.24 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.19E-004 atm-m3/mole (3.23E+001 Pa-m3/mole)

Group Method: 4.35E-003 atm-m3/mole (4.41E+002 Pa-m3/mole)

Exper Database: 4.84E-04 atm-m3/mole (4.90E+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: 2.762E-004 atm-m3/mole (2.799E+001 Pa-m3/mole)

VP: 3.38 mm Hg (source: MPBPVP)

WS: 1.74E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.11 (exp database)

Log Kaw used: -1.704 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.814

Log Koa (experimental database): 4.010

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9561

Biowin2 (Non-Linear Model) : 0.9960

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9241 (weeks )

Biowin4 (Primary Survey Model) : 3.7737 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6272

Biowin6 (MITI Non-Linear Model): 0.7936

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6756

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): 472 Pa (3.54 mm Hg)

Log Koa (Exp database): 4.010

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

Mackay model : 6.36E-009

Octanol/air (Koa) model: 2.51E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.3E-007

Mackay model : 5.08E-007

Octanol/air (Koa) model: 2.01E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.3336 E-12 cm3/molecule-sec

Half-Life = 0.479 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.747 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.69E-007 (Junge-Pankow, Mackay avg)

2.01E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 93.41 L/kg (MCI method)

Log Koc: 1.970 (MCI method)

Koc : 140.6 L/kg (Kow method)

Log Koc: 2.148 (Kow method)

Experimental Log Koc: 1.54 (database)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.059 (BCF = 11.46 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6892 days (HL = 0.2045 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.067 (BCF = 11.66)

Log BAF Arnot-Gobas method (upper trophic) = 1.067 (BAF = 11.66)

log Kow used: 2.11 (expkow database)

Volatilization from Water:

Henry LC: 0.000484 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.319 hours

Half-Life from Model Lake : 112.5 hours (4.687 days)

Removal In Wastewater Treatment:

Total removal: 19.58 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 1.96 percent

Total to Air: 17.54 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.96 14.8 1000

Water 28.7 360 1000

Soil 67.2 720 1000

Sediment 0.161 3.24e+003 0

Persistence Time: 268 hr

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