Pyruvic acid C3H4O3 structure
Molecular Formula | C3H4O3 |
Average mass | 88.062 Da |
Density | 1.3±0.1 g/cm3 |
Boiling Point | 165.0±0.0 °C at 760 mmHg |
Flash Point | 54.3±15.2 °C |
Molar Refractivity | 17.5±0.3 cm3 |
Polarizability | 7.0±0.5 10-24cm3 |
Surface Tension | 42.6±3.0 dyne/cm |
Molar Volume | 69.8±3.0 cm3 |
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.3±0.1 g/cm3 |
Boiling Point: | 165.0±0.0 °C at 760 mmHg |
Vapour Pressure: | 1.0±0.6 mmHg at 25°C |
Enthalpy of Vaporization: | 44.3±6.0 kJ/mol |
Flash Point: | 54.3±15.2 °C |
Index of Refraction: | 1.417 |
Molar Refractivity: | 17.5±0.3 cm3 |
#H bond acceptors: | 3 |
#H bond donors: | 1 |
#Freely Rotating Bonds: | 1 |
#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) = -1.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 186.79 (Adapted Stein & Brown method) Melting Pt (deg C): 28.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.693 (Mean VP of Antoine & Grain methods) MP (exp database): 13.8 deg C BP (exp database): 54 @ 10 mm Hg deg C VP (exp database): 1.29E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.24 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 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 : 2.18E-009 atm-m3/mole Group Method: Incomplete Exper Database: 3.23E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.030E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.24 (KowWin est) Log Kaw used: -6.879 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.639 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7783 Biowin2 (Non-Linear Model) : 0.9169 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3692 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1063 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6317 Biowin6 (MITI Non-Linear Model): 0.7572 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9433 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): 172 Pa (1.29 mm Hg) Log Koa (Koawin est ): 5.639 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.74E-008 Octanol/air (Koa) model: 1.07E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.3E-007 Mackay model : 1.4E-006 Octanol/air (Koa) model: 8.55E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6220 E-12 cm3/molecule-sec Half-Life = 17.196 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.01E-006 (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: -1.24 (estimated) Volatilization from Water: Henry LC: 3.23E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.701E+005 hours (7087 days) Half-Life from Model Lake : 1.856E+006 hours (7.732E+004 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 0.113 413 1000 Water 34.5 208 1000 Soil 65.3 416 1000 Sediment 0.0597 1.87e+003 0 Persistence Time: 385 hr