https://www.chemspider.com
Methanedione
C(=O)=O
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
CSID:274, http://www.chemspider.com/Chemical-Structure.274.html (accessed 01:00, Feb 18, 2025)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.83 Log Kow (Exper. database match) = 0.83 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -16.00 (Adapted Stein & Brown method) Melting Pt (deg C): -105.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.78E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -56.5 deg C BP (exp database): -78.48 deg C VP (exp database): 4.83E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.572e+004 log Kow used: 0.83 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1480 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1474.9 mg/L Wat Sol (Exper. database match) = 1480.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-002 atm-m3/mole Group Method: Incomplete Exper Database: 1.52E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.711E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.83 (exp database) Log Kaw used: -0.207 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.037 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7266 Biowin2 (Non-Linear Model) : 0.9156 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1019 (weeks ) Biowin4 (Primary Survey Model) : 3.7842 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5812 Biowin6 (MITI Non-Linear Model): 0.7782 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 6.44E+006 Pa (4.83E+004 mm Hg) Log Koa (Koawin est ): 1.037 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.66E-013 Octanol/air (Koa) model: 2.67E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.68E-011 Mackay model : 3.73E-011 Octanol/air (Koa) model: 2.14E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.7E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.498 Log Koc: 0.176 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.83 (expkow database) Volatilization from Water: Henry LC: 0.0152 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.7025 hours (42.15 min) Half-Life from Model Lake : 63.29 hours (2.637 days) Removal In Wastewater Treatment: Total removal: 85.60 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.48 percent Total to Air: 85.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 55.6 1e+005 1000 Water 42.5 360 1000 Soil 1.79 720 1000 Sediment 0.0827 3.24e+003 0 Persistence Time: 146 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight