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CAS Num: 000101-81-5

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

CHEM : Benzene, 1,1 -methylenebis-

MOL FOR: C13 H12

MOL WT : 168.24

------------------------------ 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) = 4.02

Log Kow (Exper. database match) = 4.14

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

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

Boiling Pt (deg C): 269.02 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0122 (Modified Grain method)

VP (Pa, 25 deg C) : 1.63 (Modified Grain method)

MP (exp database): 25.2 deg C

BP (exp database): 265.0 deg C

VP (exp database): 8.21E-03 mm Hg (1.09E+000 Pa) at 25 deg C

Subcooled liquid VP: 0.00825 mm Hg (25 deg C, exp database VP )

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

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

Water Solubility at 25 deg C (mg/L): 18.26

log Kow used: 4.14 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 14.1 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.1592 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.80E-004 atm-m3/mole (4.86E+001 Pa-m3/mole)

Group Method: 9.52E-005 atm-m3/mole (9.64E+000 Pa-m3/mole)

Exper Database: 1.29E-04 atm-m3/mole (1.31E+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: 1.479E-004 atm-m3/mole (1.499E+001 Pa-m3/mole)

VP: 0.0122 mm Hg (source: MPBPVP)

WS: 18.3 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.14 (exp database)

Log Kaw used: -2.278 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.418

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9783

Biowin2 (Non-Linear Model) : 0.9918

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7966 (weeks )

Biowin4 (Primary Survey Model) : 3.5463 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2381

Biowin6 (MITI Non-Linear Model): 0.2219

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1964

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.9191

BioHC Half-Life (days) : 8.3005

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

Vapor pressure (liquid/subcooled): 1.1 Pa (0.00825 mm Hg)

Log Koa (Koawin est ): 6.418

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

Mackay model : 2.73E-006

Octanol/air (Koa) model: 6.43E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.85E-005

Mackay model : 0.000218

Octanol/air (Koa) model: 5.14E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.6241 E-12 cm3/molecule-sec

Half-Life = 1.007 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.081 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000158 (Junge-Pankow, Mackay avg)

5.14E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9160 L/kg (MCI method)

Log Koc: 3.962 (MCI method)

Koc : 3915 L/kg (Kow method)

Log Koc: 3.593 (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 = 2.399 (BCF = 250.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2526 days (HL = 0.559 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.309 (BCF = 203.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.309 (BAF = 203.7)

log Kow used: 4.14 (expkow database)

Volatilization from Water:

Henry LC: 0.000129 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 7.211 hours

Half-Life from Model Lake : 187.4 hours (7.809 days)

Removal In Wastewater Treatment:

Total removal: 39.86 percent

Total biodegradation: 0.36 percent

Total sludge adsorption: 35.69 percent

Total to Air: 3.81 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.24 24.2 1000

Water 18.8 360 1000

Soil 73.8 720 1000

Sediment 5.14 3.24e+003 0

Persistence Time: 468 hr

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