This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
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