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CAS Number: 609-06-3
SMILES : O=CC(O)C(O)C(O)CO
CHEM : L-Xylose
MOL FOR: C5 H10 O5
MOL WT : 150.13
------------------------------ EPI SUMMARY (v4.10) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -1.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 330.68 (Adapted Stein & Brown method)
Melting Pt (deg C): 96.33 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 7.5E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0001 (Modified Grain method)
MP (exp database): 106.5 deg C
VP (exp database): 1.97E-10 mm Hg (2.63E-008 Pa) at 25 deg C
Subcooled liquid VP: 1.26E-009 mm Hg (25 deg C, exp database VP )
: 1.68E-007 Pa (25 deg C, exp database VP )
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 1e+006
log Kow used: -1.98 (estimated)
no-melting pt equation used
Water Sol (Exper. database match) = 5.55e+005 mg/L ( deg C)
Exper. Ref: MERCK INDEX (1996)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aldehydes (Mono)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.21E-009 atm-m3/mole (1.23E-004 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: 1.482E-013 atm-m3/mole (1.501E-008 Pa-m3/mole)
VP: 7.5E-007 mm Hg (source: MPBPVP)
WS: 1E+006 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.98 (KowWin est)
Log Kaw used: -7.306 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.326
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.5956
Biowin2 (Non-Linear Model) : 1.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.5296 (days-weeks )
Biowin4 (Primary Survey Model) : 4.3456 (hours-days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 1.2188
Biowin6 (MITI Non-Linear Model): 0.9938
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0181
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 1.68E-007 Pa (1.26E-009 mm Hg)
Log Koa (Koawin est ): 5.326
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 17.9
Octanol/air (Koa) model: 5.2E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.998
Mackay model : 0.999
Octanol/air (Koa) model: 4.16E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 74.4488 E-12 cm3/molecule-sec
Half-Life = 0.144 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.724 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.999 (Junge-Pankow, Mackay avg)
4.16E-006 (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 : 0.05994 L/kg (Kow method)
Log Koc: -1.222 (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 v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -3.0790 days (HL = 0.0008338 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)
Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)
log Kow used: -1.98 (estimated)
Volatilization from Water:
Henry LC: 1.21E-009 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 5.929E+005 hours (2.47E+004 days)
Half-Life from Model Lake : 6.468E+006 hours (2.695E+005 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 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 0.0455 3.45 1000
Water 28.8 208 1000
Soil 71.1 416 1000
Sediment 0.0606 1.87e+003 0
Persistence Time: 396 hr