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CAS Num: 023147-57-1

SMILES : O(C(O)(C)C(OC1(O)C)C)C1C

CHEM : p-Dioxane-2,5-diol, 2,3,5,6-tetramethyl-

MOL FOR: C8 H16 O4

MOL WT : 176.21

------------------------------ 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) = 1.86

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

Boiling Pt (deg C): 260.07 (Adapted Stein & Brown method)

Melting Pt (deg C): 59.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000484 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0645 (Modified Grain method)

Subcooled liquid VP: 0.00102 mm Hg (25 deg C, Mod-Grain method)

: 0.135 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1477

log Kow used: 1.86 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.45E-011 atm-m3/mole (2.49E-006 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 7.598E-008 atm-m3/mole (7.698E-003 Pa-m3/mole)

VP: 0.000484 mm Hg (source: MPBPVP)

WS: 1.48E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.86 (KowWin est)

Log Kaw used: -8.999 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.859

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.3989

Biowin2 (Non-Linear Model) : 0.0001

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3682 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2671 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3526

Biowin6 (MITI Non-Linear Model): 0.1035

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5863

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): 0.136 Pa (0.00102 mm Hg)

Log Koa (Koawin est ): 10.859

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

Mackay model : 2.21E-005

Octanol/air (Koa) model: 0.0177

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000796

Mackay model : 0.00176

Octanol/air (Koa) model: 0.587

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 84.4046 E-12 cm3/molecule-sec

Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.521 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00128 (Junge-Pankow, Mackay avg)

0.587 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 8.909 L/kg (Kow method)

Log Koc: 0.950 (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 = 0.895 (BCF = 7.857 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0545 days (HL = 0.08821 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.786 (BCF = 6.114)

Log BAF Arnot-Gobas method (upper trophic) = 0.786 (BAF = 6.114)

log Kow used: 1.86 (estimated)

Volatilization from Water:

Henry LC: 2.45E-011 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.172E+007 hours (1.322E+006 days)

Half-Life from Model Lake : 3.461E+008 hours (1.442E+007 days)

Removal In Wastewater Treatment:

Total removal: 2.14 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.04 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00029 3.04 1000

Water 35 900 1000

Soil 64.9 1.8e+003 1000

Sediment 0.0836 8.1e+003 0

Persistence Time: 1.15e+003 hr

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