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CAS Num: 000103-50-4

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

CHEM : Benzene, 1,1 -[oxybis(methylene)]bis-

MOL FOR: C14 H14 O1

MOL WT : 198.27

------------------------------ 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) = 3.48

Log Kow (Exper. database match) = 3.31

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

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

Boiling Pt (deg C): 300.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 55.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00217 (Modified Grain method)

VP (Pa, 25 deg C) : 0.289 (Modified Grain method)

MP (exp database): 3.6 deg C

BP (exp database): 298 deg C

VP (exp database): 1.03E-03 mm Hg (1.37E-001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 66.55

log Kow used: 3.31 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 40 mg/L (35 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 20.346 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.62E-006 atm-m3/mole (5.69E-001 Pa-m3/mole)

Group Method: 8.29E-008 atm-m3/mole (8.40E-003 Pa-m3/mole)

Exper Database: 6.72E-06 atm-m3/mole (6.81E-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: 8.507E-006 atm-m3/mole (8.619E-001 Pa-m3/mole)

VP: 0.00217 mm Hg (source: MPBPVP)

WS: 66.5 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.31 (exp database)

Log Kaw used: -3.561 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.871

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5620

Biowin2 (Non-Linear Model) : 0.5896

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7964 (weeks )

Biowin4 (Primary Survey Model) : 3.5617 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.0946

Biowin6 (MITI Non-Linear Model): 0.0868

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0462

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): 0.137 Pa (0.00103 mm Hg)

Log Koa (Koawin est ): 6.871

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

Mackay model : 2.18E-005

Octanol/air (Koa) model: 1.82E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000788

Mackay model : 0.00174

Octanol/air (Koa) model: 0.000146

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.0849 E-12 cm3/molecule-sec

Half-Life = 0.507 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.087 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00127 (Junge-Pankow, Mackay avg)

0.000146 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4089 L/kg (MCI method)

Log Koc: 3.612 (MCI method)

Koc : 462.8 L/kg (Kow method)

Log Koc: 2.665 (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 = 1.851 (BCF = 70.95 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1225 days (HL = 0.07542 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.287 (BCF = 193.8)

Log BAF Arnot-Gobas method (upper trophic) = 2.288 (BAF = 194.1)

log Kow used: 3.31 (expkow database)

Volatilization from Water:

Henry LC: 6.72E-006 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 124.1 hours (5.172 days)

Half-Life from Model Lake : 1472 hours (61.34 days)

Removal In Wastewater Treatment:

Total removal: 9.71 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 9.21 percent

Total to Air: 0.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.05 12.2 1000

Water 23.3 360 1000

Soil 72.6 720 1000

Sediment 2.97 3.24e+003 0

Persistence Time: 478 hr

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