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CAS Number: 58-96-8
SMILES : O=C(N(C=CC1(=O))C(OC(C2O)CO)C2O)N1
CHEM : Uridine
MOL FOR: C9 H12 N2 O6
MOL WT : 244.21
------------------------------ 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) = -1.86
Log Kow (Exper. database match) = -1.98
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 555.74 (Adapted Stein & Brown method)
Melting Pt (deg C): 238.64 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 9.83E-015 (Modified Grain method)
VP (Pa, 25 deg C) : 1.31E-012 (Modified Grain method)
MP (exp database): 165 deg C
Subcooled liquid VP: 2.71E-013 mm Hg (25 deg C, Mod-Grain method)
: 3.62E-011 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 6.122e+004
log Kow used: -1.98 (expkow database)
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:
Imides
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.82E-019 atm-m3/mole (2.86E-014 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: 5.160E-020 atm-m3/mole (5.228E-015 Pa-m3/mole)
VP: 9.83E-015 mm Hg (source: MPBPVP)
WS: 6.12E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.98 (exp database)
Log Kaw used: -16.938 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.958
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7601
Biowin2 (Non-Linear Model) : 0.3693
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1307 (weeks )
Biowin4 (Primary Survey Model) : 3.8740 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5821
Biowin6 (MITI Non-Linear Model): 0.1611
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 1.0139
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): 3.61E-011 Pa (2.71E-013 mm Hg)
Log Koa (Koawin est ): 14.958
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 8.3E+004
Octanol/air (Koa) model: 223
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 76.0106 E-12 cm3/molecule-sec
Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.689 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec
Half-Life = 6.549 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (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 : 0.08007 L/kg (Kow method)
Log Koc: -1.097 (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) = -3.9623 days (HL = 0.0001091 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 (expkow database)
Volatilization from Water:
Henry LC: 2.82E-019 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.244E+015 hours (1.352E+014 days)
Half-Life from Model Lake : 3.539E+016 hours (1.475E+015 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 4.24e-006 3.31 1000
Water 30.6 360 1000
Soil 69.4 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 640 hr