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CAS Num: 000103-29-7

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

CHEM : Benzene, 1,1 -(1,2-ethanediyl)bis-

MOL FOR: C14 H14

MOL WT : 182.27

------------------------------ 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) = 4.74

Log Kow (Exper. database match) = 4.79

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

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

Boiling Pt (deg C): 285.05 (Adapted Stein & Brown method)

Melting Pt (deg C): 40.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00254 (Modified Grain method)

VP (Pa, 25 deg C) : 0.338 (Modified Grain method)

MP (exp database): 52.5 deg C

BP (exp database): 284 deg C

VP (exp database): 7.28E-03 mm Hg (9.71E-001 Pa) at 25 deg C

Subcooled liquid VP: 0.0136 mm Hg (25 deg C, exp database VP )

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

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

Water Solubility at 25 deg C (mg/L): 4.357

log Kow used: 4.79 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4.3 mg/L (25 deg C)

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

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.9939 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.37E-004 atm-m3/mole (6.46E+001 Pa-m3/mole)

Group Method: 1.86E-004 atm-m3/mole (1.88E+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: 1.398E-004 atm-m3/mole (1.417E+001 Pa-m3/mole)

VP: 0.00254 mm Hg (source: MPBPVP)

WS: 4.36 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.79 (exp database)

Log Kaw used: -1.584 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.374

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0263

Biowin2 (Non-Linear Model) : 0.9944

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6907 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4575 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1407

Biowin6 (MITI Non-Linear Model): 0.1438

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0746

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.0965

BioHC Half-Life (days) : 12.4886

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

Vapor pressure (liquid/subcooled): 1.81 Pa (0.0136 mm Hg)

Log Koa (Koawin est ): 6.374

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

Mackay model : 1.65E-006

Octanol/air (Koa) model: 5.81E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.98E-005

Mackay model : 0.000132

Octanol/air (Koa) model: 4.65E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.9878 E-12 cm3/molecule-sec

Half-Life = 0.892 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 10.707 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.6E-005 (Junge-Pankow, Mackay avg)

4.65E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.669E+004 L/kg (MCI method)

Log Koc: 4.223 (MCI method)

Koc : 1.435E+004 L/kg (Kow method)

Log Koc: 4.157 (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 = 2.827 (BCF = 672.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2473 days (HL = 0.5659 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.361 (BCF = 229.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.361 (BAF = 229.7)

log Kow used: 4.79 (expkow database)

Volatilization from Water:

Henry LC: 0.000186 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 5.627 hours

Half-Life from Model Lake : 174.6 hours (7.275 days)

Removal In Wastewater Treatment:

Total removal: 71.10 percent

Total biodegradation: 0.60 percent

Total sludge adsorption: 68.24 percent

Total to Air: 2.25 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.974 21.4 1000

Water 10.5 900 1000

Soil 78.4 1.8e+003 1000

Sediment 10.1 8.1e+003 0

Persistence Time: 1.1e+003 hr

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