Carbonic acid CH_{2}O_{3} structure
Molecular Formula | CH_{2}O_{3} |
Average mass | 62.025 Da |
Density | 1.7±0.1 g/cm^{3} |
Boiling Point | 333.6±25.0 °C at 760 mmHg |
Flash Point | 169.8±19.7 °C |
Molar Refractivity | 9.8±0.3 cm^{3} |
Polarizability | 3.9±0.5 10^{-24}cm^{3} |
Surface Tension | 78.0±3.0 dyne/cm |
Molar Volume | 37.2±3.0 cm^{3} |
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.7±0.1 g/cm^{3} |
Boiling Point: | 333.6±25.0 °C at 760 mmHg |
Vapour Pressure: | 0.0±1.5 mmHg at 25°C |
Enthalpy of Vaporization: | 63.4±6.0 kJ/mol |
Flash Point: | 169.8±19.7 °C |
Index of Refraction: | 1.439 |
Molar Refractivity: | 9.8±0.3 cm^{3} |
#H bond acceptors: | 3 |
#H bond donors: | 2 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.46 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 246.91 (Adapted Stein & Brown method) Melting Pt (deg C): 62.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0138 (Modified Grain method) Subcooled liquid VP: 0.0312 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8.42e+005 log Kow used: -0.46 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.05E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.338E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.46 (KowWin est) Log Kaw used: -6.607 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.147 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7180 Biowin2 (Non-Linear Model) : 0.8936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0621 (weeks ) Biowin4 (Primary Survey Model) : 3.7582 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5276 Biowin6 (MITI Non-Linear Model): 0.6759 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): 4.16 Pa (0.0312 mm Hg) Log Koa (Koawin est ): 6.147 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.21E-007 Octanol/air (Koa) model: 3.44E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.6E-005 Mackay model : 5.77E-005 Octanol/air (Koa) model: 2.75E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.0400 E-12 cm3/molecule-sec Half-Life = 10.285 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.19E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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: -0.46 (estimated) Volatilization from Water: Henry LC: 6.05E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.622E+004 hours (3176 days) Half-Life from Model Lake : 8.315E+005 hours (3.465E+004 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.141 247 1000 Water 39 360 1000 Soil 60.8 720 1000 Sediment 0.0715 3.24e+003 0 Persistence Time: 574 hr
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