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CAS Num: 000101-84-8

SMILES : O(c(cccc1)c1)c(cccc2)c2

CHEM : Benzene, 1,1'-oxybis-

MOL FOR: C12 H10 O1

MOL WT : 170.21

------------------------------ 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) = 4.05

Log Kow (Exper. database match) = 4.21

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

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

Boiling Pt (deg C): 269.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 35.35 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.017 (Modified Grain method)

VP (Pa, 25 deg C) : 2.26 (Modified Grain method)

MP (exp database): 26.8 deg C

BP (exp database): 258.0 deg C

VP (exp database): 2.25E-02 mm Hg (3.00E+000 Pa) at 25 deg C

Subcooled liquid VP: 0.0234 mm Hg (25 deg C, exp database VP )

: 3.13 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 15.58

log Kow used: 4.21 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 18 mg/L (25 deg C)

Exper. Ref: BANERJEE,S ET AL. (1980)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 22.894 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.18E-004 atm-m3/mole (1.19E+001 Pa-m3/mole)

Group Method: 2.81E-004 atm-m3/mole (2.85E+001 Pa-m3/mole)

Exper Database: 2.79E-04 atm-m3/mole (2.83E+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: 2.444E-004 atm-m3/mole (2.476E+001 Pa-m3/mole)

VP: 0.017 mm Hg (source: MPBPVP)

WS: 15.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.21 (exp database)

Log Kaw used: -1.943 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.153

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0546

Biowin2 (Non-Linear Model) : 0.9984

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8089 (weeks )

Biowin4 (Primary Survey Model) : 3.6891 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4832

Biowin6 (MITI Non-Linear Model): 0.5339

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4962

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): 3.12 Pa (0.0234 mm Hg)

Log Koa (Koawin est ): 6.153

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

Mackay model : 9.62E-007

Octanol/air (Koa) model: 3.49E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.47E-005

Mackay model : 7.69E-005

Octanol/air (Koa) model: 2.79E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 9.8408 E-12 cm3/molecule-sec

Half-Life = 1.087 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 13.043 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.58E-005 (Junge-Pankow, Mackay avg)

2.79E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1918 L/kg (MCI method)

Log Koc: 3.283 (MCI method)

Koc : 2040 L/kg (Kow method)

Log Koc: 3.310 (Kow method)

Experimental Log Koc: 3.29 (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 = 2.445 (BCF = 278.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1471 days (HL = 0.7127 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.457 (BCF = 286.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.457 (BAF = 286.4)

log Kow used: 4.21 (expkow database)

Volatilization from Water:

Henry LC: 0.000279 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 4.069 hours

Half-Life from Model Lake : 153.8 hours (6.408 days)

Removal In Wastewater Treatment:

Total removal: 45.73 percent

Total biodegradation: 0.37 percent

Total sludge adsorption: 38.51 percent

Total to Air: 6.84 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.86 26.7 1000

Water 18.3 360 1000

Soil 77.7 720 1000

Sediment 1.15 3.24e+003 0

Persistence Time: 432 hr

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